(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide

C16H22N6O2 — CID 125177307

IUPAC(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCn1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3CO)c2)n1
InChIInChI=1S/C16H22N6O2/c1-2-22-19-15(18-20-22)12-6-5-7-13(10-12)17-16(24)21-9-4-3-8-14(21)11-23/h5-7,10,14,23H,2-4,8-9,11H2,1H3,(H,17,24)/t14-/m0/s1
InChIKeyQEGSPZANGGVXIL-AWEZNQCLSA-N
MW330.39 g/mol
LogP1.74
Rot. Bonds4

About (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide

(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 125177307) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID125177307
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCn1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3CO)c2)n1
InChIInChI=1S/C16H22N6O2/c1-2-22-19-15(18-20-22)12-6-5-7-13(10-12)17-16(24)21-9-4-3-8-14(21)11-23/h5-7,10,14,23H,2-4,8-9,11H2,1H3,(H,17,24)/t14-/m0/s1
InChIKeyQEGSPZANGGVXIL-AWEZNQCLSA-N
XLogP1.74
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 72922904
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 1440253
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide (CID 125177307) is (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide is CCn1nnc(-c2cccc(NC(=O)N3CCCC[C@H]3CO)c2)n1.
What is the InChIKey of (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is QEGSPZANGGVXIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-2-22-19-15(18-20-22)12-6-5-7-13(10-12)17-16(24)21-9-4-3-8-14(21)11-23/h5-7,10,14,23H,2-4,8-9,11H2,1H3,(H,17,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125177307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).