3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one

C24H28N6O2 — CID 110250354

IUPAC3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one
SMILESCCCN1CCN(C(=O)CCn2cnnn2)C(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H28N6O2/c1-2-13-28-15-16-30(23(31)12-14-29-18-25-26-27-29)22(24(28)32)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22H,2,12-17H2,1H3
InChIKeyQPIRYHJQKJRNFR-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.42
Rot. Bonds8

About 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one

3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 110250354) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one
PubChem CID110250354
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one
SMILESCCCN1CCN(C(=O)CCn2cnnn2)C(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H28N6O2/c1-2-13-28-15-16-30(23(31)12-14-29-18-25-26-27-29)22(24(28)32)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22H,2,12-17H2,1H3
InChIKeyQPIRYHJQKJRNFR-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-butanoyl-1-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250558
4-[3-(5-methylpyrazol-1-yl)propanoyl]-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250582
(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[(4-phenylphenyl)methyl]-1-propylpiperazin-2-one
CID 95811704
4-(cyclobutanecarbonyl)-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250581
(3R)-4-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-1-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 124973738
(3S)-4-(5-methylpyrazine-2-carbonyl)-3-[(3-phenylphenyl)methyl]-1-propylpiperazin-2-one
CID 95812111
1-(2-aminoacetyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 110123368
(3S)-1-ethyl-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]piperazin-2-one
CID 95811759
1-ethyl-4-[2-(4-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250576
(3R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-1-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 124985501
1-ethyl-4-[2-(3-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250573
(3S)-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 95811768

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one (CID 110250354) is 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one is CCCN1CCN(C(=O)CCn2cnnn2)C(Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is QPIRYHJQKJRNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-2-13-28-15-16-30(23(31)12-14-29-18-25-26-27-29)22(24(28)32)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22H,2,12-17H2,1H3.
What are the key properties of 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one?
3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 432.53 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methyl]-1-propyl-4-[3-(tetrazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 110250354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).