(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide

C20H19ClN6O2 — CID 41076935

IUPAC(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClN6O2/c21-16-8-6-13(7-9-16)20(29)27-10-2-4-15(12-27)19(28)22-17-5-1-3-14(11-17)18-23-25-26-24-18/h1,3,5-9,11,15H,2,4,10,12H2,(H,22,28)(H,23,24,25,26)/t15-/m1/s1
InChIKeyXIMDBXFPDNSIDP-OAHLLOKOSA-N
MW410.87 g/mol
LogP3.01
Rot. Bonds4

About (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide

(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 41076935) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID41076935
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClN6O2/c21-16-8-6-13(7-9-16)20(29)27-10-2-4-15(12-27)19(28)22-17-5-1-3-14(11-17)18-23-25-26-24-18/h1,3,5-9,11,15H,2,4,10,12H2,(H,22,28)(H,23,24,25,26)/t15-/m1/s1
InChIKeyXIMDBXFPDNSIDP-OAHLLOKOSA-N
XLogP3.01
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-3-carboxamide
CID 40988245
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 55597795
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3R)-1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 51960621
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
1-(2,3-dibromobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 166373996
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 41076935) is (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is XIMDBXFPDNSIDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-16-8-6-13(7-9-16)20(29)27-10-2-4-15(12-27)19(28)22-17-5-1-3-14(11-17)18-23-25-26-24-18/h1,3,5-9,11,15H,2,4,10,12H2,(H,22,28)(H,23,24,25,26)/t15-/m1/s1.
What are the key properties of (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 41076935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).