N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide

C24H29N5O3 — CID 110085809

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)on1
InChIInChI=1S/C24H29N5O3/c1-3-20-13-21(32-27-20)14-26-23(31)24(2)8-5-10-29(16-24)22(30)19-7-4-6-18(12-19)15-28-11-9-25-17-28/h4,6-7,9,11-13,17H,3,5,8,10,14-16H2,1-2H3,(H,26,31)
InChIKeyNSGOOJQTEWZUAX-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.04
Rot. Bonds7

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide (PubChem CID 110085809) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide
PubChem CID110085809
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)on1
InChIInChI=1S/C24H29N5O3/c1-3-20-13-21(32-27-20)14-26-23(31)24(2)8-5-10-29(16-24)22(30)19-7-4-6-18(12-19)15-28-11-9-25-17-28/h4,6-7,9,11-13,17H,3,5,8,10,14-16H2,1-2H3,(H,26,31)
InChIKeyNSGOOJQTEWZUAX-UHFFFAOYSA-N
XLogP3.04
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
CID 124956168
(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
CID 124970421
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(6S)-4-benzyl-10-[3-(imidazol-1-ylmethyl)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454495
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
(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-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide (CID 110085809) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide is CCc1cc(CNC(=O)C2(C)CCCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is NSGOOJQTEWZUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-20-13-21(32-27-20)14-26-23(31)24(2)8-5-10-29(16-24)22(30)19-7-4-6-18(12-19)15-28-11-9-25-17-28/h4,6-7,9,11-13,17H,3,5,8,10,14-16H2,1-2H3,(H,26,31).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(imidazol-1-ylmethyl)benzoyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110085809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).