methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate

C18H24N4O3 — CID 51494618

IUPACmethyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
SMILESCCn1c(N2CCC[C@@H](C(=O)NCC(=O)OC)C2)nc2ccccc21
InChIInChI=1S/C18H24N4O3/c1-3-22-15-9-5-4-8-14(15)20-18(22)21-10-6-7-13(12-21)17(24)19-11-16(23)25-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyFVYGTQAJBBZOLS-CYBMUJFWSA-N
MW344.42 g/mol
LogP1.56
Rot. Bonds5

About methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate

methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate (PubChem CID 51494618) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
PubChem CID51494618
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Namemethyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
SMILESCCn1c(N2CCC[C@@H](C(=O)NCC(=O)OC)C2)nc2ccccc21
InChIInChI=1S/C18H24N4O3/c1-3-22-15-9-5-4-8-14(15)20-18(22)21-10-6-7-13(12-21)17(24)19-11-16(23)25-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyFVYGTQAJBBZOLS-CYBMUJFWSA-N
XLogP1.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815
1-(1-ethylbenzimidazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46959589
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate (CID 51494618) is methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate is CCn1c(N2CCC[C@@H](C(=O)NCC(=O)OC)C2)nc2ccccc21.
What is the InChIKey of methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate?
The InChIKey is FVYGTQAJBBZOLS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-22-15-9-5-4-8-14(15)20-18(22)21-10-6-7-13(12-21)17(24)19-11-16(23)25-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,24)/t13-/m1/s1.
What are the key properties of methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate?
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate has a molecular weight of 344.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 51494618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).