(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide

C15H27N3O2 — CID 61179355

IUPAC(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)12(16)13(19)17-11-6-8-18(9-7-11)14(20)10-4-5-10/h10-12H,4-9,16H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeySCGRACOBKOXNKT-GFCCVEGCSA-N
MW281.40 g/mol
LogP0.88
Rot. Bonds3

About (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 61179355) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID61179355
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)12(16)13(19)17-11-6-8-18(9-7-11)14(20)10-4-5-10/h10-12H,4-9,16H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeySCGRACOBKOXNKT-GFCCVEGCSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2S)-2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119808784
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-cyclopropylpropanamide
CID 60865947
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
cyclopropyl-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]methanone
CID 43747885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide (CID 61179355) is (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is SCGRACOBKOXNKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)12(16)13(19)17-11-6-8-18(9-7-11)14(20)10-4-5-10/h10-12H,4-9,16H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 281.40 g/mol, XLogP of 0.88, 3 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-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 61179355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).