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

C16H29N3O — CID 78955983

IUPAC2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC(CCN)C1)C1=CCCC1
InChIInChI=1S/C16H29N3O/c1-2-19(15-7-3-4-8-15)16(20)13-18-11-5-6-14(12-18)9-10-17/h7,14H,2-6,8-13,17H2,1H3
InChIKeySVOVGWPAWXPNKU-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.96
Rot. Bonds6

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

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 78955983) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID78955983
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC(CCN)C1)C1=CCCC1
InChIInChI=1S/C16H29N3O/c1-2-19(15-7-3-4-8-15)16(20)13-18-11-5-6-14(12-18)9-10-17/h7,14H,2-6,8-13,17H2,1H3
InChIKeySVOVGWPAWXPNKU-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 115302497
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79994189
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
2-(3-amino-5-methylpiperidin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 79994225
N-(cyclohexen-1-yl)-N-ethyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975890
N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
CID 115314324
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 115315425
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407836
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 103442062

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 78955983) is 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CN1CCCC(CCN)C1)C1=CCCC1.
What is the InChIKey of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is SVOVGWPAWXPNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-19(15-7-3-4-8-15)16(20)13-18-11-5-6-14(12-18)9-10-17/h7,14H,2-6,8-13,17H2,1H3.
What are the key properties of 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 279.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 78955983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).