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

C21H33N3O2 — CID 121497141

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-26-20-10-15-24(16-11-20)21(25)22-12-7-18-8-13-23(14-9-18)17-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H,22,25)
InChIKeyRFVNXPSCFOAHHR-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.11
Rot. Bonds6

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 121497141) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
PubChem CID121497141
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-26-20-10-15-24(16-11-20)21(25)22-12-7-18-8-13-23(14-9-18)17-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H,22,25)
InChIKeyRFVNXPSCFOAHHR-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate
CID 91916458
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 162370226
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 161408977
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
(2R,6R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxypyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxamide
CID 129105247
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(6-methoxypyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxamide
CID 140942729
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
(3R,6S)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165420728

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide (CID 121497141) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)NCCC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is RFVNXPSCFOAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-26-20-10-15-24(16-11-20)21(25)22-12-7-18-8-13-23(14-9-18)17-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 121497141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).