1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one

C21H37F2N3O — CID 176558822

IUPAC1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCCN1CC[C@H](N2CCC(C3CCN(C(=O)CC)CC3)CC2)C(F)(F)C1
InChIInChI=1S/C21H37F2N3O/c1-3-10-24-11-9-19(21(22,23)16-24)25-12-5-17(6-13-25)18-7-14-26(15-8-18)20(27)4-2/h17-19H,3-16H2,1-2H3/t19-/m0/s1
InChIKeyKECDDNYMOHZQTO-IBGZPJMESA-N
MW385.54 g/mol
LogP3.47
Rot. Bonds5

About 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one

1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 176558822) has the molecular formula C21H37F2N3O and a molecular weight of 385.54 g/mol. Its IUPAC name is 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID176558822
Molecular FormulaC21H37F2N3O
Molecular Weight385.54 g/mol
Exact Mass385.29
IUPAC Name1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCCN1CC[C@H](N2CCC(C3CCN(C(=O)CC)CC3)CC2)C(F)(F)C1
InChIInChI=1S/C21H37F2N3O/c1-3-10-24-11-9-19(21(22,23)16-24)25-12-5-17(6-13-25)18-7-14-26(15-8-18)20(27)4-2/h17-19H,3-16H2,1-2H3/t19-/m0/s1
InChIKeyKECDDNYMOHZQTO-IBGZPJMESA-N
XLogP3.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one 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

N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
1-[4-[3-(Trifluoromethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 122269555
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
(1-Tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
CID 129149462
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
2,2-Difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 159299521
1-[4-Fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114649
Ethane;1-[4-(9-ethyl-3-azaspiro[5.5]undecan-3-yl)-3,3-difluoropiperidin-1-yl]propan-1-one
CID 176558123

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one (CID 176558822) is 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one is CCCN1CC[C@H](N2CCC(C3CCN(C(=O)CC)CC3)CC2)C(F)(F)C1.
What is the InChIKey of 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is KECDDNYMOHZQTO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H37F2N3O/c1-3-10-24-11-9-19(21(22,23)16-24)25-12-5-17(6-13-25)18-7-14-26(15-8-18)20(27)4-2/h17-19H,3-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one?
1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 385.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(4S)-3,3-difluoro-1-propylpiperidin-4-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176558822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).