N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide

C22H29N3O — CID 131939571

IUPACN-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cn1
InChIInChI=1S/C22H29N3O/c1-3-20(21-12-7-17(2)15-23-21)24-22(26)19-10-8-18(9-11-19)16-25-13-5-4-6-14-25/h7-12,15,20H,3-6,13-14,16H2,1-2H3,(H,24,26)
InChIKeyQNDOGFPEAIAGEM-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.26
Rot. Bonds6

About N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide

N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 131939571) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID131939571
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cn1
InChIInChI=1S/C22H29N3O/c1-3-20(21-12-7-17(2)15-23-21)24-22(26)19-10-8-18(9-11-19)16-25-13-5-4-6-14-25/h7-12,15,20H,3-6,13-14,16H2,1-2H3,(H,24,26)
InChIKeyQNDOGFPEAIAGEM-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014052
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-[1-(5-methyl-2-pyridinyl)propyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 91791681
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide (CID 131939571) is N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide is CCC(NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cn1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is QNDOGFPEAIAGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-20(21-12-7-17(2)15-23-21)24-22(26)19-10-8-18(9-11-19)16-25-13-5-4-6-14-25/h7-12,15,20H,3-6,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 131939571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).