N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide

C20H24N2O2 — CID 142167438

IUPACN-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide
SMILESCC(=O)N1CCCC(CN(C(=O)C2=CC=CC2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-16(23)21-13-7-8-17(14-21)15-22(19-11-3-2-4-12-19)20(24)18-9-5-6-10-18/h2-6,9,11-12,17H,7-8,10,13-15H2,1H3
InChIKeyVPEJFFFNCHNVKW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.16
Rot. Bonds4

About N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide

N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 142167438) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide
PubChem CID142167438
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide
SMILESCC(=O)N1CCCC(CN(C(=O)C2=CC=CC2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-16(23)21-13-7-8-17(14-21)15-22(19-11-3-2-4-12-19)20(24)18-9-5-6-10-18/h2-6,9,11-12,17H,7-8,10,13-15H2,1H3
InChIKeyVPEJFFFNCHNVKW-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide (CID 142167438) is N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide is CC(=O)N1CCCC(CN(C(=O)C2=CC=CC2)c2ccccc2)C1.
What is the InChIKey of N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is VPEJFFFNCHNVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(23)21-13-7-8-17(14-21)15-22(19-11-3-2-4-12-19)20(24)18-9-5-6-10-18/h2-6,9,11-12,17H,7-8,10,13-15H2,1H3.
What are the key properties of N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide?
N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-3-yl)methyl]-N-phenylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 142167438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).