N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide

C21H26ClN3O — CID 55689806

IUPACN-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H26ClN3O/c1-2-12-25(16-17-6-4-3-5-7-17)21(26)18-10-13-24(14-11-18)20-9-8-19(22)15-23-20/h3-9,15,18H,2,10-14,16H2,1H3
InChIKeyRIHVMUFNJSTSHR-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.39
Rot. Bonds6

About N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide

N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide (PubChem CID 55689806) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide
PubChem CID55689806
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H26ClN3O/c1-2-12-25(16-17-6-4-3-5-7-17)21(26)18-10-13-24(14-11-18)20-9-8-19(22)15-23-20/h3-9,15,18H,2,10-14,16H2,1H3
InChIKeyRIHVMUFNJSTSHR-UHFFFAOYSA-N
XLogP4.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide (CID 55689806) is N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide is CCCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is RIHVMUFNJSTSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-2-12-25(16-17-6-4-3-5-7-17)21(26)18-10-13-24(14-11-18)20-9-8-19(22)15-23-20/h3-9,15,18H,2,10-14,16H2,1H3.
What are the key properties of N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide?
N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 55689806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).