2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide

C23H30ClN3O — CID 110301790

IUPAC2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide
SMILESCC1CCN(C(C)CNC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30ClN3O/c1-17-9-12-27(13-10-17)18(2)15-26-23(28)22(14-19-4-3-11-25-16-19)20-5-7-21(24)8-6-20/h3-8,11,16-18,22H,9-10,12-15H2,1-2H3,(H,26,28)
InChIKeySRPNHCLIVUNKNL-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide

2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide (PubChem CID 110301790) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide
PubChem CID110301790
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide
SMILESCC1CCN(C(C)CNC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30ClN3O/c1-17-9-12-27(13-10-17)18(2)15-26-23(28)22(14-19-4-3-11-25-16-19)20-5-7-21(24)8-6-20/h3-8,11,16-18,22H,9-10,12-15H2,1-2H3,(H,26,28)
InChIKeySRPNHCLIVUNKNL-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801
2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110311432
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
2-[3-(hydroxymethyl)phenoxy]-N-[2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 109388933
3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 110301735
2-(dimethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 110620673
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropanamide
CID 110296795
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide (CID 110301790) is 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide is CC1CCN(C(C)CNC(=O)C(Cc2cccnc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide?
The InChIKey is SRPNHCLIVUNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-17-9-12-27(13-10-17)18(2)15-26-23(28)22(14-19-4-3-11-25-16-19)20-5-7-21(24)8-6-20/h3-8,11,16-18,22H,9-10,12-15H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide?
2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide has a molecular weight of 399.97 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110301790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).