(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one

C17H24N6O — CID 94551515

IUPAC(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C17H24N6O/c1-2-8-21-9-11-22(12-10-21)17(24)16(23-14-18-19-20-23)13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t16-/m1/s1
InChIKeyXXNLELYSZMORBB-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.01
Rot. Bonds6

About (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one

(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one (PubChem CID 94551515) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
PubChem CID94551515
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1
InChIInChI=1S/C17H24N6O/c1-2-8-21-9-11-22(12-10-21)17(24)16(23-14-18-19-20-23)13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t16-/m1/s1
InChIKeyXXNLELYSZMORBB-MRXNPFEDSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 55496660
(2S)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 51054904
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
(2S)-3-phenyl-2-(tetrazol-1-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 35384521
N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide
CID 47042911
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 131891349
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 95395707
(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
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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one (CID 94551515) is (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one is CCCN1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1.
What is the InChIKey of (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is XXNLELYSZMORBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-8-21-9-11-22(12-10-21)17(24)16(23-14-18-19-20-23)13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one?
(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 94551515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).