N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide

C20H32N4O — CID 45236422

IUPACN-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C20H32N4O/c1-2-23(15-17-10-12-21-13-11-17)19-9-6-14-24(16-19)20(25)22-18-7-4-3-5-8-18/h10-13,18-19H,2-9,14-16H2,1H3,(H,22,25)
InChIKeySUFXFVZKYZPEDI-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.41
Rot. Bonds5

About N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide

N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide (PubChem CID 45236422) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
PubChem CID45236422
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C20H32N4O/c1-2-23(15-17-10-12-21-13-11-17)19-9-6-14-24(16-19)20(25)22-18-7-4-3-5-8-18/h10-13,18-19H,2-9,14-16H2,1H3,(H,22,25)
InChIKeySUFXFVZKYZPEDI-UHFFFAOYSA-N
XLogP3.41
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
CID 56919120
3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 45188632
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
CID 56901600
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 75100634
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
N-[(3R)-1-(2-pyridin-4-ylacetyl)piperidin-3-yl]propanamide
CID 95635726
N-[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]propanamide
CID 56795097
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide (CID 45236422) is N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide is CCN(Cc1ccncc1)C1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide?
The InChIKey is SUFXFVZKYZPEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-23(15-17-10-12-21-13-11-17)19-9-6-14-24(16-19)20(25)22-18-7-4-3-5-8-18/h10-13,18-19H,2-9,14-16H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide?
N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 45236422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).