(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide

C12H25N3O — CID 79024824

IUPAC(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-4-11(13)12(16)14-10-5-7-15(8-6-10)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKeyWKADYBDACUZWDS-NSHDSACASA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide

(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide (PubChem CID 79024824) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
PubChem CID79024824
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-4-11(13)12(16)14-10-5-7-15(8-6-10)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKeyWKADYBDACUZWDS-NSHDSACASA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
(2S)-2-amino-5-(diaminomethylideneamino)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 138741981
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
2-(aminomethyl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 65224886
2-amino-N-(thian-4-yl)butanamide
CID 115734007
2-bromo-3-methyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 43700528
(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313238
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide (CID 79024824) is (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide is CC[C@H](N)C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
The InChIKey is WKADYBDACUZWDS-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-11(13)12(16)14-10-5-7-15(8-6-10)9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide?
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 79024824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).