2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide

C22H23ClN6O2 — CID 167964410

IUPAC2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23ClN6O2/c1-14(22(31)24-19-5-3-2-4-18(19)21-25-27-28-26-21)29-12-10-16(11-13-29)20(30)15-6-8-17(23)9-7-15/h2-9,14,16H,10-13H2,1H3,(H,24,31)(H,25,26,27,28)
InChIKeyZXVFNMSFSQCHCY-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide

2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 167964410) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID167964410
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H23ClN6O2/c1-14(22(31)24-19-5-3-2-4-18(19)21-25-27-28-26-21)29-12-10-16(11-13-29)20(30)15-6-8-17(23)9-7-15/h2-9,14,16H,10-13H2,1H3,(H,24,31)(H,25,26,27,28)
InChIKeyZXVFNMSFSQCHCY-UHFFFAOYSA-N
XLogP3.44
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
CID 86919422
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55865034
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42883794
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide (CID 167964410) is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide is CC(C(=O)Nc1ccccc1-c1nn[nH]n1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is ZXVFNMSFSQCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-14(22(31)24-19-5-3-2-4-18(19)21-25-27-28-26-21)29-12-10-16(11-13-29)20(30)15-6-8-17(23)9-7-15/h2-9,14,16H,10-13H2,1H3,(H,24,31)(H,25,26,27,28).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide?
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 438.92 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 167964410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).