1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one

C23H33N7O2 — CID 86903022

IUPAC1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
SMILESCN1CCN(C(=O)CC2CCN(C(=O)CCCn3nnc(-c4ccccc4)n3)CC2)CC1
InChIInChI=1S/C23H33N7O2/c1-27-14-16-29(17-15-27)22(32)18-19-9-12-28(13-10-19)21(31)8-5-11-30-25-23(24-26-30)20-6-3-2-4-7-20/h2-4,6-7,19H,5,8-18H2,1H3
InChIKeyIPERGYFPWHUENK-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.52
Rot. Bonds7

About 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one

1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one (PubChem CID 86903022) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
PubChem CID86903022
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC Name1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
SMILESCN1CCN(C(=O)CC2CCN(C(=O)CCCn3nnc(-c4ccccc4)n3)CC2)CC1
InChIInChI=1S/C23H33N7O2/c1-27-14-16-29(17-15-27)22(32)18-19-9-12-28(13-10-19)21(31)8-5-11-30-25-23(24-26-30)20-6-3-2-4-7-20/h2-4,6-7,19H,5,8-18H2,1H3
InChIKeyIPERGYFPWHUENK-UHFFFAOYSA-N
XLogP1.52
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one with MolForge

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Related Compounds

4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124694433
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
3-(5-phenyltetrazol-2-yl)propyl 2-cyclopentylacetate
CID 86902646
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 86874537
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
The IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one (CID 86903022) is 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one.
What is the SMILES notation for 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
The canonical SMILES for 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one is CN1CCN(C(=O)CC2CCN(C(=O)CCCn3nnc(-c4ccccc4)n3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
The InChIKey is IPERGYFPWHUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-27-14-16-29(17-15-27)22(32)18-19-9-12-28(13-10-19)21(31)8-5-11-30-25-23(24-26-30)20-6-3-2-4-7-20/h2-4,6-7,19H,5,8-18H2,1H3.
What are the key properties of 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one?
1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one has a molecular weight of 439.56 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one is sourced from PubChem (CID 86903022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).