[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride

C25H40ClF4N5O3 — CID 174209943

IUPAC[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride
SMILESCl.O=C(N[C@H](C(=O)N1CCC(N2CC(F)(F)C2)CC1)C1CCCCC1)ON1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C25H39F4N5O3.ClH/c26-24(27)14-32(15-24)19-6-10-31(11-7-19)22(35)21(18-4-2-1-3-5-18)30-23(36)37-34-12-8-20(9-13-34)33-16-25(28,29)17-33;/h18-21H,1-17H2,(H,30,36);1H/t21-;/m0./s1
InChIKeyKOFSAUYCKPVRDJ-BOXHHOBZSA-N
MW570.07 g/mol
LogP3.36
Rot. Bonds6

About [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride

[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride (PubChem CID 174209943) has the molecular formula C25H40ClF4N5O3 and a molecular weight of 570.07 g/mol. Its IUPAC name is [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride.

Molecular Properties

Compound Name[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride
PubChem CID174209943
Molecular FormulaC25H40ClF4N5O3
Molecular Weight570.07 g/mol
Exact Mass569.28
IUPAC Name[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride
SMILESCl.O=C(N[C@H](C(=O)N1CCC(N2CC(F)(F)C2)CC1)C1CCCCC1)ON1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C25H39F4N5O3.ClH/c26-24(27)14-32(15-24)19-6-10-31(11-7-19)22(35)21(18-4-2-1-3-5-18)30-23(36)37-34-12-8-20(9-13-34)33-16-25(28,29)17-33;/h18-21H,1-17H2,(H,30,36);1H/t21-;/m0./s1
InChIKeyKOFSAUYCKPVRDJ-BOXHHOBZSA-N
XLogP3.36
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.07
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate
CID 175528009
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
[(1S)-1-cyclohexyl-2-oxo-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethyl]carbamic acid
CID 154330797
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
CID 145446627
piperidin-1-yl N-[3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]carbamate
CID 91188810
1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99824148
fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
CID 177326834
2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
CID 119409783
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride?
The IUPAC name of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride (CID 174209943) is [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride.
What is the SMILES notation for [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride?
The canonical SMILES for [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride is Cl.O=C(N[C@H](C(=O)N1CCC(N2CC(F)(F)C2)CC1)C1CCCCC1)ON1CCC(N2CC(F)(F)C2)CC1.
What is the InChIKey of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride?
The InChIKey is KOFSAUYCKPVRDJ-BOXHHOBZSA-N. The full InChI is InChI=1S/C25H39F4N5O3.ClH/c26-24(27)14-32(15-24)19-6-10-31(11-7-19)22(35)21(18-4-2-1-3-5-18)30-23(36)37-34-12-8-20(9-13-34)33-16-25(28,29)17-33;/h18-21H,1-17H2,(H,30,36);1H/t21-;/m0./s1.
What are the key properties of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride?
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride has a molecular weight of 570.07 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride is sourced from PubChem (CID 174209943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).