methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate

C17H24N2O3 — CID 110754107

IUPACmethyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C17H24N2O3/c1-3-18(13-14-7-5-4-6-8-14)16(20)15-9-11-19(12-10-15)17(21)22-2/h4-8,15H,3,9-13H2,1-2H3
InChIKeyAVQSQYAWROSTDD-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.51
Rot. Bonds4

About methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110754107) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110754107
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C17H24N2O3/c1-3-18(13-14-7-5-4-6-8-14)16(20)15-9-11-19(12-10-15)17(21)22-2/h4-8,15H,3,9-13H2,1-2H3
InChIKeyAVQSQYAWROSTDD-UHFFFAOYSA-N
XLogP2.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 146136314
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409786

Frequently Asked Questions

What is the IUPAC name of methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate (CID 110754107) is methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate is CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is AVQSQYAWROSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-18(13-14-7-5-4-6-8-14)16(20)15-9-11-19(12-10-15)17(21)22-2/h4-8,15H,3,9-13H2,1-2H3.
What are the key properties of methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110754107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).