1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide

C21H29N3O2 — CID 72921042

IUPAC1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(16-8-12-24(13-9-16)21(26)17-6-7-17)22-18-10-14-23(15-11-18)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2,(H,22,25)
InChIKeyCROALYRGTBCQNA-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.42
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 72921042) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID72921042
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(16-8-12-24(13-9-16)21(26)17-6-7-17)22-18-10-14-23(15-11-18)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2,(H,22,25)
InChIKeyCROALYRGTBCQNA-UHFFFAOYSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109144708
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 43711892

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide (CID 72921042) is 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide is O=C(NC1CCN(c2ccccc2)CC1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is CROALYRGTBCQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(16-8-12-24(13-9-16)21(26)17-6-7-17)22-18-10-14-23(15-11-18)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 72921042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).