N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide

C20H28N2O2 — CID 2817995

IUPACN-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESC1CCC(CC1)C(=O)NC2CCN(CC2)C(=O)CC3=CC=CC=C3
InChIInChI=1S/C20H28N2O2/c23-19(15-16-7-3-1-4-8-16)22-13-11-18(12-14-22)21-20(24)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)
InChIKeyCQWDZBWTBDIVGQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 2817995) has the molecular formula C20H28N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID2817995
Molecular FormulaC20H28N2O2
Molecular Weight328.40 g/mol
Exact Mass328.22
IUPAC NameN-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESC1CCC(CC1)C(=O)NC2CCN(CC2)C(=O)CC3=CC=CC=C3
InChIInChI=1S/C20H28N2O2/c23-19(15-16-7-3-1-4-8-16)22-13-11-18(12-14-22)21-20(24)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)
InChIKeyCQWDZBWTBDIVGQ-UHFFFAOYSA-N
XLogP3.30
TPSA49.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity417

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide (CID 2817995) is N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide is C1CCC(CC1)C(=O)NC2CCN(CC2)C(=O)CC3=CC=CC=C3.
What is the InChIKey of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is CQWDZBWTBDIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(15-16-7-3-1-4-8-16)22-13-11-18(12-14-22)21-20(24)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24).
What are the key properties of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2817995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).