N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide

C12H25N3O — CID 115903388

IUPACN-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-4-13-12(16)15-7-5-11(6-8-15)14-9-10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyMLKGMDGNBVSUJS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds4

About N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide

N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide (PubChem CID 115903388) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
PubChem CID115903388
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NCC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-4-13-12(16)15-7-5-11(6-8-15)14-9-10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyMLKGMDGNBVSUJS-UHFFFAOYSA-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-ethyl-4-(3-fluoropropylamino)piperidine-1-carboxamide
CID 115903706
N-ethyl-4-[1-(ethylsulfonylamino)propan-2-ylamino]piperidine-1-carboxamide
CID 131925200
N-ethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 128995387
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
2-[(1-acetylpiperidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113219515
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
2-hydroxy-1-[(3R)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 146497573
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
4-(2-methylbutylamino)piperidine-1-carboxamide
CID 62692212
N,4-diethylazepane-1-carboxamide
CID 89043568
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide (CID 115903388) is N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide is CCNC(=O)N1CCC(NCC(C)C)CC1.
What is the InChIKey of N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide?
The InChIKey is MLKGMDGNBVSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-13-12(16)15-7-5-11(6-8-15)14-9-10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide?
N-ethyl-4-(2-methylpropylamino)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 N-ethyl-4-(2-methylpropylamino)piperidine-1-carboxamide is sourced from PubChem (CID 115903388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).