[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone

C28H34N4O2 — CID 59250163

IUPAC[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
SMILESO=C(c1ccnc2ccccc12)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c33-28(26-13-14-29-27-8-3-2-7-25(26)27)32-20-18-31(19-21-32)23-9-11-24(12-10-23)34-22-6-17-30-15-4-1-5-16-30/h2-3,7-14H,1,4-6,15-22H2
InChIKeySGIPTPNLGSOOLN-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.45
Rot. Bonds7

About [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone

[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone (PubChem CID 59250163) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
PubChem CID59250163
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
SMILESO=C(c1ccnc2ccccc12)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C28H34N4O2/c33-28(26-13-14-29-27-8-3-2-7-25(26)27)32-20-18-31(19-21-32)23-9-11-24(12-10-23)34-22-6-17-30-15-4-1-5-16-30/h2-3,7-14H,1,4-6,15-22H2
InChIKeySGIPTPNLGSOOLN-UHFFFAOYSA-N
XLogP4.45
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]methanone
CID 59250125
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone;formic acid
CID 157151232
[4-[4-[3-(azocan-1-yl)propoxy]phenyl]piperazin-1-yl]-(5-methyl-2-propan-2-ylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 160698243
[4-[2-[(2-methyl-1H-indol-5-yl)oxy]ethyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 90683529
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone (CID 59250163) is [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone is O=C(c1ccnc2ccccc12)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1.
What is the InChIKey of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone?
The InChIKey is SGIPTPNLGSOOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c33-28(26-13-14-29-27-8-3-2-7-25(26)27)32-20-18-31(19-21-32)23-9-11-24(12-10-23)34-22-6-17-30-15-4-1-5-16-30/h2-3,7-14H,1,4-6,15-22H2.
What are the key properties of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone?
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone has a molecular weight of 458.61 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 59250163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).