2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate

C17H21ClF3N3O3 — CID 78904741

IUPAC2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCC(F)(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClF3N3O3/c18-13-3-1-12(2-4-13)10-24-7-5-14(6-8-24)23-15(25)9-22-16(26)27-11-17(19,20)21/h1-4,14H,5-11H2,(H,22,26)(H,23,25)
InChIKeyNHBGAIIHUPYVTO-UHFFFAOYSA-N
MW407.82 g/mol
LogP2.71
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate

2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate (PubChem CID 78904741) has the molecular formula C17H21ClF3N3O3 and a molecular weight of 407.82 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
PubChem CID78904741
Molecular FormulaC17H21ClF3N3O3
Molecular Weight407.82 g/mol
Exact Mass407.12
IUPAC Name2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCC(F)(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClF3N3O3/c18-13-3-1-12(2-4-13)10-24-7-5-14(6-8-24)23-15(25)9-22-16(26)27-11-17(19,20)21/h1-4,14H,5-11H2,(H,22,26)(H,23,25)
InChIKeyNHBGAIIHUPYVTO-UHFFFAOYSA-N
XLogP2.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.82
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18121101
N-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 86757903
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46643597
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 46682583
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate (CID 78904741) is 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCC(F)(F)F)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is NHBGAIIHUPYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3O3/c18-13-3-1-12(2-4-13)10-24-7-5-14(6-8-24)23-15(25)9-22-16(26)27-11-17(19,20)21/h1-4,14H,5-11H2,(H,22,26)(H,23,25).
What are the key properties of 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 407.82 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 78904741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).