N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide

C17H27N3O — CID 16757469

IUPACN-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCN)CC2)c1
InChIInChI=1S/C17H27N3O/c1-13(2)17(21)19-16-5-3-4-15(12-16)14-6-9-20(10-7-14)11-8-18/h3-5,12-14H,6-11,18H2,1-2H3,(H,19,21)
InChIKeyDAEAZSJQJMQBRD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.42
Rot. Bonds5

About N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 16757469) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID16757469
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCN)CC2)c1
InChIInChI=1S/C17H27N3O/c1-13(2)17(21)19-16-5-3-4-15(12-16)14-6-9-20(10-7-14)11-8-18/h3-5,12-14H,6-11,18H2,1-2H3,(H,19,21)
InChIKeyDAEAZSJQJMQBRD-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
CID 22049411
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
N-[3-[1-[3-(2-bromophenoxy)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049496
3,5-dichloro-N-[4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]butyl]benzamide
CID 22048745
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
CID 10458014
N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346
N-[3-[1-[3-(4-bromophenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049169
N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048629

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide (CID 16757469) is N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCN)CC2)c1.
What is the InChIKey of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is DAEAZSJQJMQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)17(21)19-16-5-3-4-15(12-16)14-6-9-20(10-7-14)11-8-18/h3-5,12-14H,6-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 16757469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).