N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide

C16H25N3O — CID 107652895

IUPACN-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
SMILESCCC1CN(C(=O)NCc2ccccc2)CCC1NC
InChIInChI=1S/C16H25N3O/c1-3-14-12-19(10-9-15(14)17-2)16(20)18-11-13-7-5-4-6-8-13/h4-8,14-15,17H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyNGVHGITWTFJRHV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds4

About N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide

N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide (PubChem CID 107652895) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
PubChem CID107652895
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
SMILESCCC1CN(C(=O)NCc2ccccc2)CCC1NC
InChIInChI=1S/C16H25N3O/c1-3-14-12-19(10-9-15(14)17-2)16(20)18-11-13-7-5-4-6-8-13/h4-8,14-15,17H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyNGVHGITWTFJRHV-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 114507061
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114506492
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 114506383
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide (CID 107652895) is N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide is CCC1CN(C(=O)NCc2ccccc2)CCC1NC.
What is the InChIKey of N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
The InChIKey is NGVHGITWTFJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14-12-19(10-9-15(14)17-2)16(20)18-11-13-7-5-4-6-8-13/h4-8,14-15,17H,3,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide?
N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide is sourced from PubChem (CID 107652895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).