(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one

C19H21N7O — CID 51054904

IUPAC(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21N7O/c27-19(25-12-10-24(11-13-25)18-8-4-5-9-20-18)17(26-15-21-22-23-26)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2/t17-/m0/s1
InChIKeyVBBOKVHHMLGXCH-KRWDZBQOSA-N
MW363.43 g/mol
LogP1.20
Rot. Bonds5

About (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one

(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one (PubChem CID 51054904) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
PubChem CID51054904
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESO=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21N7O/c27-19(25-12-10-24(11-13-25)18-8-4-5-9-20-18)17(26-15-21-22-23-26)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2/t17-/m0/s1
InChIKeyVBBOKVHHMLGXCH-KRWDZBQOSA-N
XLogP1.20
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(4-benzylpiperazin-1-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 32831551
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 131891349
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 94551515
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95395707
1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55496660
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 86949782
1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55413484
(2R)-3-phenyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 38298963
(2R)-1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 124838639
(2R)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95402920
(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
CID 126454160

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one (CID 51054904) is (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one is O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is VBBOKVHHMLGXCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N7O/c27-19(25-12-10-24(11-13-25)18-8-4-5-9-20-18)17(26-15-21-22-23-26)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 363.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 51054904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).