2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H28N4O2 — CID 119898929

IUPAC2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(18(24)22-9-5-6-10-22)21-11-13-23(14-12-21)19(25)17(20)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14,20H2,1H3
InChIKeyMEBPMJZCSXAMLY-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.84
Rot. Bonds4

About 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 119898929) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID119898929
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(C(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(18(24)22-9-5-6-10-22)21-11-13-23(14-12-21)19(25)17(20)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14,20H2,1H3
InChIKeyMEBPMJZCSXAMLY-UHFFFAOYSA-N
XLogP0.84
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119877493

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 119898929) is 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCN(C(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MEBPMJZCSXAMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(18(24)22-9-5-6-10-22)21-11-13-23(14-12-21)19(25)17(20)16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14,20H2,1H3.
What are the key properties of 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 344.46 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 119898929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).