N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

C30H35N3O2 — CID 72703023

IUPACN-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1cccc2ccccc12
InChIInChI=1S/C30H35N3O2/c34-29(31-25-11-2-1-3-12-25)24-16-18-33(19-17-24)21-22-8-6-13-26(20-22)32-30(35)28-15-7-10-23-9-4-5-14-27(23)28/h4-10,13-15,20,24-25H,1-3,11-12,16-19,21H2,(H,31,34)(H,32,35)
InChIKeyKRZCGVNZELVVOB-UHFFFAOYSA-N
MW469.63 g/mol
LogP5.75
Rot. Bonds6

About N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72703023) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
PubChem CID72703023
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1cccc2ccccc12
InChIInChI=1S/C30H35N3O2/c34-29(31-25-11-2-1-3-12-25)24-16-18-33(19-17-24)21-22-8-6-13-26(20-22)32-30(35)28-15-7-10-23-9-4-5-14-27(23)28/h4-10,13-15,20,24-25H,1-3,11-12,16-19,21H2,(H,31,34)(H,32,35)
InChIKeyKRZCGVNZELVVOB-UHFFFAOYSA-N
XLogP5.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide (CID 72703023) is N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is KRZCGVNZELVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c34-29(31-25-11-2-1-3-12-25)24-16-18-33(19-17-24)21-22-8-6-13-26(20-22)32-30(35)28-15-7-10-23-9-4-5-14-27(23)28/h4-10,13-15,20,24-25H,1-3,11-12,16-19,21H2,(H,31,34)(H,32,35).
What are the key properties of N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[3-(naphthalene-1-carbonylamino)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72703023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).