(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide

C19H27N5O3 — CID 124956168

IUPAC(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccn(CC)n3)C2)on1
InChIInChI=1S/C19H27N5O3/c1-4-14-11-15(27-22-14)12-20-18(26)19(3)8-6-9-23(13-19)17(25)16-7-10-24(5-2)21-16/h7,10-11H,4-6,8-9,12-13H2,1-3H3,(H,20,26)/t19-/m0/s1
InChIKeyFPKDQNBIMVGSHW-IBGZPJMESA-N
MW373.46 g/mol
LogP2.01
Rot. Bonds6

About (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide

(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide (PubChem CID 124956168) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
PubChem CID124956168
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccn(CC)n3)C2)on1
InChIInChI=1S/C19H27N5O3/c1-4-14-11-15(27-22-14)12-20-18(26)19(3)8-6-9-23(13-19)17(25)16-7-10-24(5-2)21-16/h7,10-11H,4-6,8-9,12-13H2,1-3H3,(H,20,26)/t19-/m0/s1
InChIKeyFPKDQNBIMVGSHW-IBGZPJMESA-N
XLogP2.01
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
CID 124970421
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide
CID 110085809
N-(1-ethylbenzimidazol-5-yl)-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
CID 175656680
1-(1-ethylpyrazole-3-carbonyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 175656343
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 125007278
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110085812
(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632361
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110243404
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 110085749
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 110085702
3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyrrolidin-1-ylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 110085653

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide (CID 124956168) is (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide is CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3ccn(CC)n3)C2)on1.
What is the InChIKey of (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is FPKDQNBIMVGSHW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-14-11-15(27-22-14)12-20-18(26)19(3)8-6-9-23(13-19)17(25)16-7-10-24(5-2)21-16/h7,10-11H,4-6,8-9,12-13H2,1-3H3,(H,20,26)/t19-/m0/s1.
What are the key properties of (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide?
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 124956168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).