2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide

C14H27N3O — CID 104968607

IUPAC2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
SMILESC[C@@H]1CCC[C@H](C)N1CCC(NC1CC1)C(N)=O
InChIInChI=1S/C14H27N3O/c1-10-4-3-5-11(2)17(10)9-8-13(14(15)18)16-12-6-7-12/h10-13,16H,3-9H2,1-2H3,(H2,15,18)/t10-,11+,13?
InChIKeyUUMUVXLOBHOTGP-QYJAPNMZSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds6

About 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide

2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide (PubChem CID 104968607) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
PubChem CID104968607
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide
SMILESC[C@@H]1CCC[C@H](C)N1CCC(NC1CC1)C(N)=O
InChIInChI=1S/C14H27N3O/c1-10-4-3-5-11(2)17(10)9-8-13(14(15)18)16-12-6-7-12/h10-13,16H,3-9H2,1-2H3,(H2,15,18)/t10-,11+,13?
InChIKeyUUMUVXLOBHOTGP-QYJAPNMZSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 63055622
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
(4S)-5-amino-4-(cyclopentylamino)-5-oxopentanoic acid
CID 67333173
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062215
2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide
CID 55144900
(4S)-5-amino-4-(cyclooctylamino)-5-oxopentanoic acid
CID 67336025
2-(cyclopropylamino)-4-(3-ethoxypiperidin-1-yl)butanamide
CID 63053798
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
CID 63053076

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide (CID 104968607) is 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide is C[C@@H]1CCC[C@H](C)N1CCC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide?
The InChIKey is UUMUVXLOBHOTGP-QYJAPNMZSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-4-3-5-11(2)17(10)9-8-13(14(15)18)16-12-6-7-12/h10-13,16H,3-9H2,1-2H3,(H2,15,18)/t10-,11+,13?.
What are the key properties of 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide?
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanamide is sourced from PubChem (CID 104968607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).