(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide

C18H24N4O3 — CID 99984929

IUPAC(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1noc(CO)n1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H24N4O3/c23-13-17-20-16(21-25-17)9-10-19-18(24)15-8-4-5-11-22(15)12-14-6-2-1-3-7-14/h1-3,6-7,15,23H,4-5,8-13H2,(H,19,24)/t15-/m1/s1
InChIKeyKIBPLUKCNGXKJE-OAHLLOKOSA-N
MW344.42 g/mol
LogP1.28
Rot. Bonds7

About (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide

(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide (PubChem CID 99984929) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
PubChem CID99984929
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
SMILESO=C(NCCc1noc(CO)n1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H24N4O3/c23-13-17-20-16(21-25-17)9-10-19-18(24)15-8-4-5-11-22(15)12-14-6-2-1-3-7-14/h1-3,6-7,15,23H,4-5,8-13H2,(H,19,24)/t15-/m1/s1
InChIKeyKIBPLUKCNGXKJE-OAHLLOKOSA-N
XLogP1.28
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 96516993
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 51098589
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110632719
1-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 60579538
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97452094

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide (CID 99984929) is (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide is O=C(NCCc1noc(CO)n1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide?
The InChIKey is KIBPLUKCNGXKJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-13-17-20-16(21-25-17)9-10-19-18(24)15-8-4-5-11-22(15)12-14-6-2-1-3-7-14/h1-3,6-7,15,23H,4-5,8-13H2,(H,19,24)/t15-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide?
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 99984929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).