(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide

C21H30N6O — CID 100720353

IUPAC(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
SMILESCc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1CCCC[C@H]1C(C)C
InChIInChI=1S/C21H30N6O/c1-13(2)17-10-5-6-11-26(17)21(28)22-19-14(3)8-7-9-16(19)20-23-24-25-27(20)18-12-15(18)4/h7-9,13,15,17-18H,5-6,10-12H2,1-4H3,(H,22,28)/t15-,17+,18-/m1/s1
InChIKeyQTOZBIHHGCCYAX-BPQIPLTHSA-N
MW382.51 g/mol
LogP4.27
Rot. Bonds4

About (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide

(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide (PubChem CID 100720353) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
PubChem CID100720353
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
SMILESCc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1CCCC[C@H]1C(C)C
InChIInChI=1S/C21H30N6O/c1-13(2)17-10-5-6-11-26(17)21(28)22-19-14(3)8-7-9-16(19)20-23-24-25-27(20)18-12-15(18)4/h7-9,13,15,17-18H,5-6,10-12H2,1-4H3,(H,22,28)/t15-,17+,18-/m1/s1
InChIKeyQTOZBIHHGCCYAX-BPQIPLTHSA-N
XLogP4.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091903
3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide
CID 167836576
N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86800635
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86803953
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 75524686
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 104833768
(2R)-N-(2,6-dimethylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343637
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
4-(2-chloropyrimidin-4-yl)-N-(2,6-dimethylphenyl)-2-propan-2-ylpiperazine-1-carboxamide
CID 59690655
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 51244869
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide (CID 100720353) is (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide is Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NC(=O)N1CCCC[C@H]1C(C)C.
What is the InChIKey of (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is QTOZBIHHGCCYAX-BPQIPLTHSA-N. The full InChI is InChI=1S/C21H30N6O/c1-13(2)17-10-5-6-11-26(17)21(28)22-19-14(3)8-7-9-16(19)20-23-24-25-27(20)18-12-15(18)4/h7-9,13,15,17-18H,5-6,10-12H2,1-4H3,(H,22,28)/t15-,17+,18-/m1/s1.
What are the key properties of (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide?
(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 100720353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).