N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide

C21H31N3O3 — CID 119778256

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C21H31N3O3/c1-27-21(9-11-22-12-10-21)20(26)23-16-19(25)24-13-7-18(8-14-24)15-17-5-3-2-4-6-17/h2-6,18,22H,7-16H2,1H3,(H,23,26)
InChIKeyQPEAXISQCLSJLD-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.35
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119778256) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119778256
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C21H31N3O3/c1-27-21(9-11-22-12-10-21)20(26)23-16-19(25)24-13-7-18(8-14-24)15-17-5-3-2-4-6-17/h2-6,18,22H,7-16H2,1H3,(H,23,26)
InChIKeyQPEAXISQCLSJLD-UHFFFAOYSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167872290
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119844595
N-[(1-benzylpiperidin-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119861772
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
2-(4-benzylpiperidin-1-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890321
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide (CID 119778256) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCNCC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is QPEAXISQCLSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-21(9-11-22-12-10-21)20(26)23-16-19(25)24-13-7-18(8-14-24)15-17-5-3-2-4-6-17/h2-6,18,22H,7-16H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119778256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).