(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide

C15H29N3O2 — CID 61178441

IUPAC(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-10(2)12(16)13(19)17-11-6-8-18(9-7-11)14(20)15(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,19)/t12-/m0/s1
InChIKeyPJMJPXNHHRSGQW-LBPRGKRZSA-N
MW283.42 g/mol
LogP1.12
Rot. Bonds3

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

(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 61178441) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID61178441
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-10(2)12(16)13(19)17-11-6-8-18(9-7-11)14(20)15(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,19)/t12-/m0/s1
InChIKeyPJMJPXNHHRSGQW-LBPRGKRZSA-N
XLogP1.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide (CID 61178441) is (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is PJMJPXNHHRSGQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(2)12(16)13(19)17-11-6-8-18(9-7-11)14(20)15(3,4)5/h10-12H,6-9,16H2,1-5H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide?
(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 283.42 g/mol, XLogP of 1.12, 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-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 61178441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).