2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide

C19H29N3O2 — CID 69110936

IUPAC2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-12-5-6-14(17(21)23)15(11-12)13-7-9-22(10-8-13)18(24)16(20)19(2,3)4/h5-6,11,13,16H,7-10,20H2,1-4H3,(H2,21,23)/t16-/m1/s1
InChIKeyFQICLVVZZCWONF-MRXNPFEDSA-N
MW331.46 g/mol
LogP2.17
Rot. Bonds3

About 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide (PubChem CID 69110936) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
PubChem CID69110936
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-12-5-6-14(17(21)23)15(11-12)13-7-9-22(10-8-13)18(24)16(20)19(2,3)4/h5-6,11,13,16H,7-10,20H2,1-4H3,(H2,21,23)/t16-/m1/s1
InChIKeyFQICLVVZZCWONF-MRXNPFEDSA-N
XLogP2.17
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide (CID 69110936) is 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)c(C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)c1.
What is the InChIKey of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide?
The InChIKey is FQICLVVZZCWONF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-12-5-6-14(17(21)23)15(11-12)13-7-9-22(10-8-13)18(24)16(20)19(2,3)4/h5-6,11,13,16H,7-10,20H2,1-4H3,(H2,21,23)/t16-/m1/s1.
What are the key properties of 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide?
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 69110936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).