ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate

C22H26N4O2 — CID 14989873

IUPACethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(Cc2ccccc2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-28-22(27)25-14-12-18(13-15-25)26(16-17-8-4-3-5-9-17)21-23-19-10-6-7-11-20(19)24-21/h3-11,18H,2,12-16H2,1H3,(H,23,24)
InChIKeyNAJSRPALFFYIOX-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.19
Rot. Bonds5

About ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate

ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate (PubChem CID 14989873) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate
PubChem CID14989873
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Nameethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(Cc2ccccc2)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-28-22(27)25-14-12-18(13-15-25)26(16-17-8-4-3-5-9-17)21-23-19-10-6-7-11-20(19)24-21/h3-11,18H,2,12-16H2,1H3,(H,23,24)
InChIKeyNAJSRPALFFYIOX-UHFFFAOYSA-N
XLogP4.19
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
N-(1-methylpyrrolidin-3-yl)-N-propyl-1H-benzimidazol-2-amine
CID 19819739
[3-[2-[4-[1H-benzimidazol-2-yl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethyl]-3-phenylpiperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22009405
ethyl 4-[[N'-[3-(1H-benzimidazol-2-yl)propyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328692
tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
CID 126511699
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
[(2S)-2-(dibenzylamino)propyl] 4-(benzotriazol-1-yl)piperidine-1-carboxylate
CID 25192679

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate (CID 14989873) is ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(Cc2ccccc2)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate?
The InChIKey is NAJSRPALFFYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-28-22(27)25-14-12-18(13-15-25)26(16-17-8-4-3-5-9-17)21-23-19-10-6-7-11-20(19)24-21/h3-11,18H,2,12-16H2,1H3,(H,23,24).
What are the key properties of ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate?
ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate has a molecular weight of 378.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1H-benzimidazol-2-yl(benzyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 14989873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).