benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

C19H24N4O3 — CID 102563792

IUPACbenzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ncc[nH]1
InChIInChI=1S/C19H24N4O3/c1-14(17-20-9-10-21-17)22-18(24)16-7-11-23(12-8-16)19(25)26-13-15-5-3-2-4-6-15/h2-6,9-10,14,16H,7-8,11-13H2,1H3,(H,20,21)(H,22,24)
InChIKeyXJHMXQLFVXRTPE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.64
Rot. Bonds5

About benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate

benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 102563792) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID102563792
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namebenzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ncc[nH]1
InChIInChI=1S/C19H24N4O3/c1-14(17-20-9-10-21-17)22-18(24)16-7-11-23(12-8-16)19(25)26-13-15-5-3-2-4-6-15/h2-6,9-10,14,16H,7-8,11-13H2,1H3,(H,20,21)(H,22,24)
InChIKeyXJHMXQLFVXRTPE-UHFFFAOYSA-N
XLogP2.64
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
benzyl 4-[(1-methylimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 122152865
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
benzyl 4-[[(2S)-2-amino-3-phenylpropanoyl]oxycarbamoyl]piperidine-1-carboxylate
CID 54293771
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
CID 60592903

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 102563792) is benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate is CC(NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ncc[nH]1.
What is the InChIKey of benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is XJHMXQLFVXRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(17-20-9-10-21-17)22-18(24)16-7-11-23(12-8-16)19(25)26-13-15-5-3-2-4-6-15/h2-6,9-10,14,16H,7-8,11-13H2,1H3,(H,20,21)(H,22,24).
What are the key properties of benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate?
benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[1-(1H-imidazol-2-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 102563792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).