N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide

C14H27N3O2 — CID 66567687

IUPACN-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCCN(C(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-5-17(11(4)18)12-7-6-8-16(9-12)14(19)13(15)10(2)3/h10,12-13H,5-9,15H2,1-4H3/t12?,13-/m0/s1
InChIKeyBDDXTFXJTCXMQO-ABLWVSNPSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds4

About N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide (PubChem CID 66567687) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
PubChem CID66567687
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCCN(C(=O)[C@@H](N)C(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-5-17(11(4)18)12-7-6-8-16(9-12)14(19)13(15)10(2)3/h10,12-13H,5-9,15H2,1-4H3/t12?,13-/m0/s1
InChIKeyBDDXTFXJTCXMQO-ABLWVSNPSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63167021
N-[(3S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567713
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 77144249
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
CID 66567716
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284
benzyl N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 77144103
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
(2S)-2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one
CID 66567241
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide?
The IUPAC name of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide (CID 66567687) is N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide?
The canonical SMILES for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide is CCN(C(C)=O)C1CCCN(C(=O)[C@@H](N)C(C)C)C1.
What is the InChIKey of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide?
The InChIKey is BDDXTFXJTCXMQO-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-17(11(4)18)12-7-6-8-16(9-12)14(19)13(15)10(2)3/h10,12-13H,5-9,15H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide?
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide has a molecular weight of 269.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide is sourced from PubChem (CID 66567687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).