N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide

C20H23N3O — CID 166632917

IUPACN-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCC(c2cnccc2-c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c24-20(22-17-6-7-17)23-12-9-16(10-13-23)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24)
InChIKeySIERYDZJRZQUEO-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.80
Rot. Bonds3

About N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide

N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 166632917) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide
PubChem CID166632917
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(NC1CC1)N1CCC(c2cnccc2-c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c24-20(22-17-6-7-17)23-12-9-16(10-13-23)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24)
InChIKeySIERYDZJRZQUEO-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide (CID 166632917) is N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide is O=C(NC1CC1)N1CCC(c2cnccc2-c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is SIERYDZJRZQUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)23-12-9-16(10-13-23)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24).
What are the key properties of N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide?
N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 166632917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).