3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide

C12H25N3O — CID 69469240

IUPAC3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)N[C@@H](C)CNC)C1
InChIInChI=1S/C12H25N3O/c1-4-11-6-5-7-15(9-11)12(16)14-10(2)8-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyWLHWCUNQLODYFG-VUWPPUDQSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds4

About 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide

3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69469240) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69469240
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)N[C@@H](C)CNC)C1
InChIInChI=1S/C12H25N3O/c1-4-11-6-5-7-15(9-11)12(16)14-10(2)8-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyWLHWCUNQLODYFG-VUWPPUDQSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
3-Cyclohexyl-1,1-diisobutylurea
CID 4078219
Ethylhexyl cyclohexyl urea
CID 4657034
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1-[(Piperidin-4-yl)methyl]imidazolidin-2-one
CID 61649405
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
3-(dimethylamino)-N-(3,3-dimethylbutyl)piperidine-1-carboxamide
CID 72145167
(4aS,7aS)-N-(2-methylpropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 97377267
N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 118738744
N-cyclopentyl-3-(1-methyl-4-piperidyl)-1-pyrrolidinecarboxamide
CID 91921271

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69469240) is 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide is CCC1CCCN(C(=O)N[C@@H](C)CNC)C1.
What is the InChIKey of 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is WLHWCUNQLODYFG-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-11-6-5-7-15(9-11)12(16)14-10(2)8-13-3/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10-,11?/m0/s1.
What are the key properties of 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69469240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).