(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one

C20H23N5O — CID 16662104

IUPAC(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C20H23N5O/c21-18(12-15-4-2-1-3-5-15)20(26)25-10-8-24(9-11-25)17-6-7-19-16(13-17)14-22-23-19/h1-7,13-14,18H,8-12,21H2,(H,22,23)/t18-/m1/s1
InChIKeyVBZRXOXVUUYQOV-GOSISDBHSA-N
MW349.44 g/mol
LogP1.78
Rot. Bonds4

About (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one

(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 16662104) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID16662104
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C20H23N5O/c21-18(12-15-4-2-1-3-5-15)20(26)25-10-8-24(9-11-25)17-6-7-19-16(13-17)14-22-23-19/h1-7,13-14,18H,8-12,21H2,(H,22,23)/t18-/m1/s1
InChIKeyVBZRXOXVUUYQOV-GOSISDBHSA-N
XLogP1.78
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91828791
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909
2-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119858335
(2S)-2-amino-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 70759850
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-3-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]propan-1-one
CID 117073391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 16662104) is (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one is N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is VBZRXOXVUUYQOV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c21-18(12-15-4-2-1-3-5-15)20(26)25-10-8-24(9-11-25)17-6-7-19-16(13-17)14-22-23-19/h1-7,13-14,18H,8-12,21H2,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one?
(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 349.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 16662104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).