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

C23H29N5O3 — CID 124970421

IUPAC(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc4c(c3)ncn4CC)C2)on1
InChIInChI=1S/C23H29N5O3/c1-4-17-12-18(31-26-17)13-24-22(30)23(3)9-6-10-28(14-23)21(29)16-7-8-20-19(11-16)25-15-27(20)5-2/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,30)/t23-/m1/s1
InChIKeyJPZRQSFLONUGGD-HSZRJFAPSA-N
MW423.52 g/mol
LogP3.17
Rot. Bonds6

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

(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 124970421) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID124970421
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc4c(c3)ncn4CC)C2)on1
InChIInChI=1S/C23H29N5O3/c1-4-17-12-18(31-26-17)13-24-22(30)23(3)9-6-10-28(14-23)21(29)16-7-8-20-19(11-16)25-15-27(20)5-2/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,30)/t23-/m1/s1
InChIKeyJPZRQSFLONUGGD-HSZRJFAPSA-N
XLogP3.17
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-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
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
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(1-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 110085749
(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
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
N-(1-ethylbenzimidazol-5-yl)-3-methyl-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxamide
CID 110085710
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
1-ethyl-3-methyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 72904711
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 (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide (CID 124970421) is (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide is CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccc4c(c3)ncn4CC)C2)on1.
What is the InChIKey of (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is JPZRQSFLONUGGD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-17-12-18(31-26-17)13-24-22(30)23(3)9-6-10-28(14-23)21(29)16-7-8-20-19(11-16)25-15-27(20)5-2/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,30)/t23-/m1/s1.
What are the key properties of (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide?
(3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylbenzimidazole-5-carbonyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 124970421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).