(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

C18H25N5O2 — CID 96516993

IUPAC(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCc1noc(CCCNC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1
InChIInChI=1S/C18H25N5O2/c1-14-21-17(25-22-14)8-5-10-20-18(24)16-7-2-3-11-23(16)13-15-6-4-9-19-12-15/h4,6,9,12,16H,2-3,5,7-8,10-11,13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyQOAPEYGVJXKZRZ-INIZCTEOSA-N
MW343.43 g/mol
LogP1.88
Rot. Bonds7

About (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide

(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 96516993) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
PubChem CID96516993
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESCc1noc(CCCNC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1
InChIInChI=1S/C18H25N5O2/c1-14-21-17(25-22-14)8-5-10-20-18(24)16-7-2-3-11-23(16)13-15-6-4-9-19-12-15/h4,6,9,12,16H,2-3,5,7-8,10-11,13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyQOAPEYGVJXKZRZ-INIZCTEOSA-N
XLogP1.88
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 56786115
(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
CID 95619721
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
(2S)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95622313
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
N-(3-phenylpropyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134803452
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
1-(3,3-dimethyl-2-oxopentanoyl)-N-(4-pyridin-3-ylbutyl)piperidine-2-carboxamide
CID 59107691

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide (CID 96516993) is (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is Cc1noc(CCCNC(=O)[C@@H]2CCCCN2Cc2cccnc2)n1.
What is the InChIKey of (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is QOAPEYGVJXKZRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-21-17(25-22-14)8-5-10-20-18(24)16-7-2-3-11-23(16)13-15-6-4-9-19-12-15/h4,6,9,12,16H,2-3,5,7-8,10-11,13H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
(2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 96516993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).