N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide

C13H25N3O — CID 96554458

IUPACN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(C[C@@H]1CCCN(CCN)C1)C1CC1
InChIInChI=1S/C13H25N3O/c1-11(17)16(13-4-5-13)10-12-3-2-7-15(9-12)8-6-14/h12-13H,2-10,14H2,1H3/t12-/m1/s1
InChIKeyYIEFKINCNRFIIA-GFCCVEGCSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds5

About N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide

N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide (PubChem CID 96554458) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
PubChem CID96554458
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(C[C@@H]1CCCN(CCN)C1)C1CC1
InChIInChI=1S/C13H25N3O/c1-11(17)16(13-4-5-13)10-12-3-2-7-15(9-12)8-6-14/h12-13H,2-10,14H2,1H3/t12-/m1/s1
InChIKeyYIEFKINCNRFIIA-GFCCVEGCSA-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-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554442
N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylcyclopropanamine
CID 66567916
N-[(3S)-1-(2-aminoethyl)piperidin-3-yl]-N-ethylacetamide
CID 66567411
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
tert-butyl N-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553589
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-methylpropan-2-amine
CID 96554802
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
tert-butyl N-[[1-(2-aminoethyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566102
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
1-(2-aminoethyl)-N-cyclopropyl-N-methylpiperidin-3-amine
CID 66567911
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
The IUPAC name of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide (CID 96554458) is N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide is CC(=O)N(C[C@@H]1CCCN(CCN)C1)C1CC1.
What is the InChIKey of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
The InChIKey is YIEFKINCNRFIIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(17)16(13-4-5-13)10-12-3-2-7-15(9-12)8-6-14/h12-13H,2-10,14H2,1H3/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide 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 N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide is sourced from PubChem (CID 96554458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).