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

C11H23N3O — CID 66567411

IUPACN-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H]1CCCN(CCN)C1
InChIInChI=1S/C11H23N3O/c1-3-14(10(2)15)11-5-4-7-13(9-11)8-6-12/h11H,3-9,12H2,1-2H3/t11-/m0/s1
InChIKeyOBLJFUQFJLVJRD-NSHDSACASA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds4

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

N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide (PubChem CID 66567411) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
PubChem CID66567411
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H]1CCCN(CCN)C1
InChIInChI=1S/C11H23N3O/c1-3-14(10(2)15)11-5-4-7-13(9-11)8-6-12/h11H,3-9,12H2,1-2H3/t11-/m0/s1
InChIKeyOBLJFUQFJLVJRD-NSHDSACASA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
N-ethyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]acetamide
CID 66567335
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
1-(2-aminoethyl)-N-cyclopropyl-N-methylpiperidin-3-amine
CID 66567911
ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]-N-ethylacetamide
CID 66567687
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide?
The IUPAC name of N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide (CID 66567411) is N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide?
The canonical SMILES for N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide is CCN(C(C)=O)[C@H]1CCCN(CCN)C1.
What is the InChIKey of N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide?
The InChIKey is OBLJFUQFJLVJRD-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-14(10(2)15)11-5-4-7-13(9-11)8-6-12/h11H,3-9,12H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide?
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide is sourced from PubChem (CID 66567411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).