ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate

C21H30N2O3 — CID 113005741

IUPACethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H30N2O3/c1-2-26-21(25)23-14-10-19(11-15-23)20(24)22-12-8-18(9-13-22)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
InChIKeyVGBAZXQWOCHGLQ-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.34
Rot. Bonds4

About ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate

ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 113005741) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID113005741
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Nameethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H30N2O3/c1-2-26-21(25)23-14-10-19(11-15-23)20(24)22-12-8-18(9-13-22)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
InChIKeyVGBAZXQWOCHGLQ-UHFFFAOYSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate (CID 113005741) is ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is VGBAZXQWOCHGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-26-21(25)23-14-10-19(11-15-23)20(24)22-12-8-18(9-13-22)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3.
What are the key properties of ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate?
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 113005741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).