methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate

C35H41N5O4 — CID 46879502

IUPACmethyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C35H41N5O4/c1-44-35(43)40-16-12-28(13-17-40)33(41)38-18-14-30(15-19-38)37-20-22-39(23-21-37)34(42)29-24-31(26-8-4-2-5-9-26)36-32(25-29)27-10-6-3-7-11-27/h2-11,24-25,28,30H,12-23H2,1H3
InChIKeyKWPXNWIZMPODKX-UHFFFAOYSA-N
MW595.74 g/mol
LogP4.64
Rot. Bonds5

About methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate

methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 46879502) has the molecular formula C35H41N5O4 and a molecular weight of 595.74 g/mol. Its IUPAC name is methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID46879502
Molecular FormulaC35H41N5O4
Molecular Weight595.74 g/mol
Exact Mass595.32
IUPAC Namemethyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C35H41N5O4/c1-44-35(43)40-16-12-28(13-17-40)33(41)38-18-14-30(15-19-38)37-20-22-39(23-21-37)34(42)29-24-31(26-8-4-2-5-9-26)36-32(25-29)27-10-6-3-7-11-27/h2-11,24-25,28,30H,12-23H2,1H3
InChIKeyKWPXNWIZMPODKX-UHFFFAOYSA-N
XLogP4.64
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 24992397
1-(4-(4-(4-(2,6-Dip-tolylisonicotinoyl)piperazin-1-yl)piperidine-1-carbonyl)piperidin-1-yl)ethanone
CID 45375926
1-[4-[4-[4-[2,6-Bis[4-(hydroxymethyl)phenyl]pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45375928
(2,6-Diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
CID 46879435
(2,6-Diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
CID 46879436
[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
CID 46879437
Cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 46879495
[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(4-methoxycyclohexyl)methanone
CID 46879497
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 46879498
(1-Benzoylpiperidin-4-yl)-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 46879499
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 46879500
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]-2-hydroxyethanone
CID 46879501

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (CID 46879502) is methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1.
What is the InChIKey of methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is KWPXNWIZMPODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O4/c1-44-35(43)40-16-12-28(13-17-40)33(41)38-18-14-30(15-19-38)37-20-22-39(23-21-37)34(42)29-24-31(26-8-4-2-5-9-26)36-32(25-29)27-10-6-3-7-11-27/h2-11,24-25,28,30H,12-23H2,1H3.
What are the key properties of methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 595.74 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 46879502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).