2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide

C13H25N3O — CID 61488497

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC(CN)C1)C1CC1
InChIInChI=1S/C13H25N3O/c1-2-16(12-5-6-12)13(17)10-15-7-3-4-11(8-14)9-15/h11-12H,2-10,14H2,1H3
InChIKeySSFMVPUAPMANSZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds5

About 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide

2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488497) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID61488497
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC(CN)C1)C1CC1
InChIInChI=1S/C13H25N3O/c1-2-16(12-5-6-12)13(17)10-15-7-3-4-11(8-14)9-15/h11-12H,2-10,14H2,1H3
InChIKeySSFMVPUAPMANSZ-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914794
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
N-cyclopentyl-N-cyclopropyl-2-(3-ethylpiperidin-1-yl)acetamide
CID 78897689
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63336169
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79993534

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 61488497) is 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CCCC(CN)C1)C1CC1.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is SSFMVPUAPMANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-16(12-5-6-12)13(17)10-15-7-3-4-11(8-14)9-15/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).