1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid

C19H24N6O3 — CID 122091903

IUPAC1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H24N6O3/c1-11-4-3-5-14(17-21-22-23-25(17)15-10-12(15)2)16(11)20-19(28)24-8-6-13(7-9-24)18(26)27/h3-5,12-13,15H,6-10H2,1-2H3,(H,20,28)(H,26,27)/t12-,15-/m1/s1
InChIKeyRISKZTPAVIYNIO-IUODEOHRSA-N
MW384.44 g/mol
LogP2.56
Rot. Bonds4

About 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122091903) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122091903
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H24N6O3/c1-11-4-3-5-14(17-21-22-23-25(17)15-10-12(15)2)16(11)20-19(28)24-8-6-13(7-9-24)18(26)27/h3-5,12-13,15H,6-10H2,1-2H3,(H,20,28)(H,26,27)/t12-,15-/m1/s1
InChIKeyRISKZTPAVIYNIO-IUODEOHRSA-N
XLogP2.56
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide
CID 167836576
(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 100720353
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
1-[(3-cyano-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087279
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086831
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030508

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122091903) is 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid is Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is RISKZTPAVIYNIO-IUODEOHRSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11-4-3-5-14(17-21-22-23-25(17)15-10-12(15)2)16(11)20-19(28)24-8-6-13(7-9-24)18(26)27/h3-5,12-13,15H,6-10H2,1-2H3,(H,20,28)(H,26,27)/t12-,15-/m1/s1.
What are the key properties of 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).