N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide

C16H25N3O — CID 107654135

IUPACN-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
SMILESCNCCC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-17-10-7-14-8-11-19(12-9-14)16(20)18-13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3,(H,18,20)
InChIKeyGEQMUQLRZUMNIK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds5

About N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide

N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide (PubChem CID 107654135) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
PubChem CID107654135
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
SMILESCNCCC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H25N3O/c1-17-10-7-14-8-11-19(12-9-14)16(20)18-13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3,(H,18,20)
InChIKeyGEQMUQLRZUMNIK-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-benzyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150970
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide (CID 107654135) is N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide is CNCCC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is GEQMUQLRZUMNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-10-7-14-8-11-19(12-9-14)16(20)18-13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3,(H,18,20).
What are the key properties of N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide?
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 107654135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).