1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide

C19H27N3O2 — CID 3222727

IUPAC1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(21-17-8-4-5-9-17)16-10-12-22(13-11-16)19(24)20-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,24)(H,21,23)
InChIKeyPCMCBRMFRDCFEF-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.67
Rot. Bonds4

About 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide

1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide (PubChem CID 3222727) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
PubChem CID3222727
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(21-17-8-4-5-9-17)16-10-12-22(13-11-16)19(24)20-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,24)(H,21,23)
InChIKeyPCMCBRMFRDCFEF-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide (CID 3222727) is 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide is O=C(NC1CCCC1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide?
The InChIKey is PCMCBRMFRDCFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(21-17-8-4-5-9-17)16-10-12-22(13-11-16)19(24)20-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,24)(H,21,23).
What are the key properties of 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3222727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).