N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide

C22H26ClN3O2 — CID 42159544

IUPACN-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc(C(=O)N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C22H26ClN3O2/c1-16-5-7-19(15-24-16)22(28)26-11-9-17(10-12-26)6-8-21(27)25-14-18-3-2-4-20(23)13-18/h2-5,7,13,15,17H,6,8-12,14H2,1H3,(H,25,27)
InChIKeyXLGWBIRIARPUIZ-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.99
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 42159544) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID42159544
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc(C(=O)N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C22H26ClN3O2/c1-16-5-7-19(15-24-16)22(28)26-11-9-17(10-12-26)6-8-21(27)25-14-18-3-2-4-20(23)13-18/h2-5,7,13,15,17H,6,8-12,14H2,1H3,(H,25,27)
InChIKeyXLGWBIRIARPUIZ-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide
CID 56702414
N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]propanamide
CID 25283323
methyl 4-[4-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 26325736
3-[1-[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 42114617
N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide
CID 72855594
N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]propanamide
CID 42507954
3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56719004
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide
CID 42290688
[4-[4-[[3-(3-chlorophenyl)propanoylamino]methyl]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930194
[4-[2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 143151043

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide (CID 42159544) is N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide is Cc1ccc(C(=O)N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is XLGWBIRIARPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-5-7-19(15-24-16)22(28)26-11-9-17(10-12-26)6-8-21(27)25-14-18-3-2-4-20(23)13-18/h2-5,7,13,15,17H,6,8-12,14H2,1H3,(H,25,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 399.92 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42159544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).