N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide

C24H29Cl2N3O — CID 11797621

IUPACN-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
SMILESO=C(N1CCCCC1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-22-10-9-21(17-23(22)26)29(24(30)28-13-5-2-6-14-28)20-11-15-27(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2
InChIKeyFOVJBNXJZHYUJW-UHFFFAOYSA-N
MW446.42 g/mol
LogP6.07
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide

N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide (PubChem CID 11797621) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
PubChem CID11797621
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
SMILESO=C(N1CCCCC1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-22-10-9-21(17-23(22)26)29(24(30)28-13-5-2-6-14-28)20-11-15-27(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2
InChIKeyFOVJBNXJZHYUJW-UHFFFAOYSA-N
XLogP6.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide (CID 11797621) is N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide is O=C(N1CCCCC1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
The InChIKey is FOVJBNXJZHYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c25-22-10-9-21(17-23(22)26)29(24(30)28-13-5-2-6-14-28)20-11-15-27(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide has a molecular weight of 446.42 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(3,4-dichlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 11797621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).