N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide

C17H23N3O3 — CID 119710488

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CCNCC1
InChIInChI=1S/C17H23N3O3/c1-23-17(7-9-18-10-8-17)16(22)20-14-4-2-3-13(11-14)19-15(21)12-5-6-12/h2-4,11-12,18H,5-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOKYPAVNWQCWRSX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds5

About N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119710488) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119710488
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CCNCC1
InChIInChI=1S/C17H23N3O3/c1-23-17(7-9-18-10-8-17)16(22)20-14-4-2-3-13(11-14)19-15(21)12-5-6-12/h2-4,11-12,18H,5-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOKYPAVNWQCWRSX-UHFFFAOYSA-N
XLogP1.74
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119710766
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119801073
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119813165
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119819398
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 46570320

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide (CID 119710488) is N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CCNCC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is OKYPAVNWQCWRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-17(7-9-18-10-8-17)16(22)20-14-4-2-3-13(11-14)19-15(21)12-5-6-12/h2-4,11-12,18H,5-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).