1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

C20H28N2O2 — CID 17127007

IUPAC1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-16(23)21-13-9-19(10-14-21)20(24)22-11-7-18(8-12-22)15-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3
InChIKeyHHJKEJFQKDPRIY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 17127007) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID17127007
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-16(23)21-13-9-19(10-14-21)20(24)22-11-7-18(8-12-22)15-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3
InChIKeyHHJKEJFQKDPRIY-UHFFFAOYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 17127007) is 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is HHJKEJFQKDPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16(23)21-13-9-19(10-14-21)20(24)22-11-7-18(8-12-22)15-17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3.
What are the key properties of 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 328.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 17127007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).