1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide

C24H29N3O2 — CID 24614563

IUPAC1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H29N3O2/c28-22(25-18-24(14-8-15-24)20-10-3-1-4-11-20)19-9-7-16-27(17-19)23(29)26-21-12-5-2-6-13-21/h1-6,10-13,19H,7-9,14-18H2,(H,25,28)(H,26,29)
InChIKeyOABCPPRMDKLAHL-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.17
Rot. Bonds5

About 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide

1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 24614563) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID24614563
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H29N3O2/c28-22(25-18-24(14-8-15-24)20-10-3-1-4-11-20)19-9-7-16-27(17-19)23(29)26-21-12-5-2-6-13-21/h1-6,10-13,19H,7-9,14-18H2,(H,25,28)(H,26,29)
InChIKeyOABCPPRMDKLAHL-UHFFFAOYSA-N
XLogP4.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-3-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31288160
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide (CID 24614563) is 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide is O=C(NCC1(c2ccccc2)CCC1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is OABCPPRMDKLAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22(25-18-24(14-8-15-24)20-10-3-1-4-11-20)19-9-7-16-27(17-19)23(29)26-21-12-5-2-6-13-21/h1-6,10-13,19H,7-9,14-18H2,(H,25,28)(H,26,29).
What are the key properties of 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide?
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 24614563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).