4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide

C13H27N3O — CID 81339135

IUPAC4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide
SMILESCC(CNC1CCN(C(N)=O)CC1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-10(13(2,3)4)9-15-11-5-7-16(8-6-11)12(14)17/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyFAACPVMCMVUDGG-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.80
Rot. Bonds3

About 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide

4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide (PubChem CID 81339135) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide
PubChem CID81339135
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide
SMILESCC(CNC1CCN(C(N)=O)CC1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-10(13(2,3)4)9-15-11-5-7-16(8-6-11)12(14)17/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyFAACPVMCMVUDGG-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylbutylamino)piperidine-1-carboxamide
CID 62692212
4-[(1-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxamide
CID 79253533
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
tert-butyl 4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidine-1-carboxylate
CID 107442932
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
4-(methylamino)piperidine-1-carboxamide
CID 43754889
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
CID 103898924
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide
CID 104584924
4-[(1-methylcyclopropyl)methylamino]piperidine-1-carboxamide
CID 103902901
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119621897

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide (CID 81339135) is 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide is CC(CNC1CCN(C(N)=O)CC1)C(C)(C)C.
What is the InChIKey of 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide?
The InChIKey is FAACPVMCMVUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(13(2,3)4)9-15-11-5-7-16(8-6-11)12(14)17/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide?
4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trimethylbutylamino)piperidine-1-carboxamide is sourced from PubChem (CID 81339135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).