3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide

C18H27N3O2 — CID 119884210

IUPAC3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)C3CCC(N)C3)C2)c1
InChIInChI=1S/C18H27N3O2/c1-23-17-6-2-5-16(11-17)21-9-3-4-15(12-21)20-18(22)13-7-8-14(19)10-13/h2,5-6,11,13-15H,3-4,7-10,12,19H2,1H3,(H,20,22)
InChIKeyPRVREFONKVJMRS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide

3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 119884210) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
PubChem CID119884210
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)C3CCC(N)C3)C2)c1
InChIInChI=1S/C18H27N3O2/c1-23-17-6-2-5-16(11-17)21-9-3-4-15(12-21)20-18(22)13-7-8-14(19)10-13/h2,5-6,11,13-15H,3-4,7-10,12,19H2,1H3,(H,20,22)
InChIKeyPRVREFONKVJMRS-UHFFFAOYSA-N
XLogP1.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
3-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119899510
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86966191
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide (CID 119884210) is 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide is COc1cccc(N2CCCC(NC(=O)C3CCC(N)C3)C2)c1.
What is the InChIKey of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is PRVREFONKVJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-17-6-2-5-16(11-17)21-9-3-4-15(12-21)20-18(22)13-7-8-14(19)10-13/h2,5-6,11,13-15H,3-4,7-10,12,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119884210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).