ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate

C16H23N3O3 — CID 110821710

IUPACethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(21)18-14-8-10-19(11-9-14)15(20)17-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyHJGDNPFXUFVYDC-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.11
Rot. Bonds4

About ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate

ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate (PubChem CID 110821710) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
PubChem CID110821710
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Nameethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-2-22-16(21)18-14-8-10-19(11-9-14)15(20)17-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyHJGDNPFXUFVYDC-UHFFFAOYSA-N
XLogP2.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(N-benzyl-N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 111328198
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
CID 110821696
N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
CID 110821703
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
ethyl 4-[[N'-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327614
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate (CID 110821710) is ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate?
The InChIKey is HJGDNPFXUFVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-16(21)18-14-8-10-19(11-9-14)15(20)17-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate?
ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110821710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).