(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone

C25H31ClN6O2 — CID 24996200

IUPAC(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
SMILESCn1nnc(CN2CCN(CCCCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)n1
InChIInChI=1S/C25H31ClN6O2/c1-30-28-24(27-29-30)19-32-16-14-31(15-17-32)13-3-2-4-18-34-23-11-7-21(8-12-23)25(33)20-5-9-22(26)10-6-20/h5-12H,2-4,13-19H2,1H3
InChIKeyWEUBOFINMGQIDJ-UHFFFAOYSA-N
MW483.02 g/mol
LogP3.46
Rot. Bonds11

About (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone

(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone (PubChem CID 24996200) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
PubChem CID24996200
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
SMILESCn1nnc(CN2CCN(CCCCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)n1
InChIInChI=1S/C25H31ClN6O2/c1-30-28-24(27-29-30)19-32-16-14-31(15-17-32)13-3-2-4-18-34-23-11-7-21(8-12-23)25(33)20-5-9-22(26)10-6-20/h5-12H,2-4,13-19H2,1H3
InChIKeyWEUBOFINMGQIDJ-UHFFFAOYSA-N
XLogP3.46
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
CID 24995257
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24995255
(4-chlorophenyl)-[4-[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pentoxy]phenyl]methanone
CID 24994624
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
3-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]propan-1-amine
CID 107041756
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
(4-chlorophenyl)-[4-(3-hydroxypropoxy)phenyl]methanone
CID 70878263
2-[4-[5-[4-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24996849

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone (CID 24996200) is (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone is Cn1nnc(CN2CCN(CCCCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)n1.
What is the InChIKey of (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone?
The InChIKey is WEUBOFINMGQIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-30-28-24(27-29-30)19-32-16-14-31(15-17-32)13-3-2-4-18-34-23-11-7-21(8-12-23)25(33)20-5-9-22(26)10-6-20/h5-12H,2-4,13-19H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone?
(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone has a molecular weight of 483.02 g/mol, XLogP of 3.46, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone is sourced from PubChem (CID 24996200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).