4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide

C19H28ClN3O — CID 97323720

IUPAC4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1
InChIInChI=1S/C19H28ClN3O/c20-16-8-4-7-15(13-16)18(14-5-2-1-3-6-14)22-17-9-11-23(12-10-17)19(21)24/h4,7-8,13-14,17-18,22H,1-3,5-6,9-12H2,(H2,21,24)/t18-/m0/s1
InChIKeyXOVOTBMJJVRREV-SFHVURJKSA-N
MW349.91 g/mol
LogP4.09
Rot. Bonds4

About 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide

4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide (PubChem CID 97323720) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide
PubChem CID97323720
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1
InChIInChI=1S/C19H28ClN3O/c20-16-8-4-7-15(13-16)18(14-5-2-1-3-6-14)22-17-9-11-23(12-10-17)19(21)24/h4,7-8,13-14,17-18,22H,1-3,5-6,9-12H2,(H2,21,24)/t18-/m0/s1
InChIKeyXOVOTBMJJVRREV-SFHVURJKSA-N
XLogP4.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide (CID 97323720) is 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide is NC(=O)N1CCC(N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1.
What is the InChIKey of 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide?
The InChIKey is XOVOTBMJJVRREV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28ClN3O/c20-16-8-4-7-15(13-16)18(14-5-2-1-3-6-14)22-17-9-11-23(12-10-17)19(21)24/h4,7-8,13-14,17-18,22H,1-3,5-6,9-12H2,(H2,21,24)/t18-/m0/s1.
What are the key properties of 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide?
4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide has a molecular weight of 349.91 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(S)-(3-chlorophenyl)-cyclohexylmethyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 97323720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).