2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide

C16H31N3O — CID 63255860

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
SMILESCC(N)C1CCCCN1CC(=O)NC1CCCCCC1
InChIInChI=1S/C16H31N3O/c1-13(17)15-10-6-7-11-19(15)12-16(20)18-14-8-4-2-3-5-9-14/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyGGRNUEYBIRKDQQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds4

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide (PubChem CID 63255860) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
PubChem CID63255860
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
SMILESCC(N)C1CCCCN1CC(=O)NC1CCCCCC1
InChIInChI=1S/C16H31N3O/c1-13(17)15-10-6-7-11-19(15)12-16(20)18-14-8-4-2-3-5-9-14/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyGGRNUEYBIRKDQQ-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
N-cyclopentyl-2-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 95321220
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119911978
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63855035
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide (CID 63255860) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide is CC(N)C1CCCCN1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide?
The InChIKey is GGRNUEYBIRKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(17)15-10-6-7-11-19(15)12-16(20)18-14-8-4-2-3-5-9-14/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 63255860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).