1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide

C18H25N3O2 — CID 709561

IUPAC1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c19-17(23)18(21-11-5-2-6-12-21)9-13-20(14-10-18)16(22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23)
InChIKeyUAYXRLYZQKWDKN-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.63
Rot. Bonds3

About 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide

1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 709561) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID709561
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c19-17(23)18(21-11-5-2-6-12-21)9-13-20(14-10-18)16(22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23)
InChIKeyUAYXRLYZQKWDKN-UHFFFAOYSA-N
XLogP1.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide (CID 709561) is 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is UAYXRLYZQKWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-17(23)18(21-11-5-2-6-12-21)9-13-20(14-10-18)16(22)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23).
What are the key properties of 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide?
1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 709561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).