3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide

C16H23N3O2 — CID 119308870

IUPAC3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c17-14(20)9-8-12-5-4-10-19(11-12)16(21)15(18)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,18H2,(H2,17,20)
InChIKeyKBCGDMFRKMUZBE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.19
Rot. Bonds5

About 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide

3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide (PubChem CID 119308870) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
PubChem CID119308870
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c17-14(20)9-8-12-5-4-10-19(11-12)16(21)15(18)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,18H2,(H2,17,20)
InChIKeyKBCGDMFRKMUZBE-UHFFFAOYSA-N
XLogP1.19
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119758309
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide (CID 119308870) is 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(C(=O)C(N)c2ccccc2)C1.
What is the InChIKey of 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide?
The InChIKey is KBCGDMFRKMUZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(20)9-8-12-5-4-10-19(11-12)16(21)15(18)13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11,18H2,(H2,17,20).
What are the key properties of 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide?
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 119308870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).