1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one

C22H31N7O2 — CID 42100636

IUPAC1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H31N7O2/c30-21(28-16-14-26(15-17-28)20-4-2-1-3-5-20)7-6-19-8-11-27(12-9-19)22(31)10-13-29-18-23-24-25-29/h1-5,18-19H,6-17H2
InChIKeyBAUNEVPGDXLCNA-UHFFFAOYSA-N
MW425.54 g/mol
LogP1.43
Rot. Bonds7

About 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one

1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one (PubChem CID 42100636) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one
PubChem CID42100636
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H31N7O2/c30-21(28-16-14-26(15-17-28)20-4-2-1-3-5-20)7-6-19-8-11-27(12-9-19)22(31)10-13-29-18-23-24-25-29/h1-5,18-19H,6-17H2
InChIKeyBAUNEVPGDXLCNA-UHFFFAOYSA-N
XLogP1.43
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
1-(2-methylphenyl)-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24790596
3-(1,2,4-Triazol-1-yl)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 24791793
1-(4-fluorophenyl)-4-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24817494
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 24791052
1-[3-[4-(2-Fluorophenyl)piperazin-1-yl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 24817086
N-(4-isopropylphenyl)-1-[3-(1H-tetrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816604
1-(2-fluorophenyl)-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 25276816
N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 42925469
2-methoxy-N-[3-methyl-1-[2-(tetrazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 44329302
2-methoxy-N-[3-methyl-1-[2-(tetrazol-1-yl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 44329589
1-[3-(1H-tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2(1H)-one
CID 72917705

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one (CID 42100636) is 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one is O=C(CCn1cnnn1)N1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one?
The InChIKey is BAUNEVPGDXLCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c30-21(28-16-14-26(15-17-28)20-4-2-1-3-5-20)7-6-19-8-11-27(12-9-19)22(31)10-13-29-18-23-24-25-29/h1-5,18-19H,6-17H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one?
1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one has a molecular weight of 425.54 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 42100636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).