N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C19H25N5O2 — CID 95157984

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C19H25N5O2/c25-19(20-13-16-7-4-12-26-16)24-10-8-15(9-11-24)18-21-17(22-23-18)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,25)(H,21,22,23)/t16-/m0/s1
InChIKeyRXQZRUPEJYTSSK-INIZCTEOSA-N
MW355.44 g/mol
LogP2.54
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 95157984) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID95157984
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C19H25N5O2/c25-19(20-13-16-7-4-12-26-16)24-10-8-15(9-11-24)18-21-17(22-23-18)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,25)(H,21,22,23)/t16-/m0/s1
InChIKeyRXQZRUPEJYTSSK-INIZCTEOSA-N
XLogP2.54
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 166226827
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
N-(oxolan-2-ylmethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185476
[4-(aminomethyl)oxan-4-yl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120929640
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
1-[(2S,4R)-4-hydroxy-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 136588947
(3S)-N-(2-ethoxyethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97351533
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 126783649
(3,5-dimethoxyphenyl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 50958481
(2R)-N-(2-morpholin-4-ylethyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97253672
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 95157984) is N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NC[C@@H]1CCCO1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RXQZRUPEJYTSSK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(20-13-16-7-4-12-26-16)24-10-8-15(9-11-24)18-21-17(22-23-18)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,25)(H,21,22,23)/t16-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95157984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).