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

C37H45N5O4 — CID 46879503

IUPACpropan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C37H45N5O4/c1-27(2)46-37(45)42-17-13-30(14-18-42)35(43)40-19-15-32(16-20-40)39-21-23-41(24-22-39)36(44)31-25-33(28-9-5-3-6-10-28)38-34(26-31)29-11-7-4-8-12-29/h3-12,25-27,30,32H,13-24H2,1-2H3
InChIKeyCPPVIIQGQBFOFL-UHFFFAOYSA-N
MW623.80 g/mol
LogP5.42
Rot. Bonds6

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

propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 46879503) has the molecular formula C37H45N5O4 and a molecular weight of 623.80 g/mol. Its IUPAC name is propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID46879503
Molecular FormulaC37H45N5O4
Molecular Weight623.80 g/mol
Exact Mass623.35
IUPAC Namepropan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C37H45N5O4/c1-27(2)46-37(45)42-17-13-30(14-18-42)35(43)40-19-15-32(16-20-40)39-21-23-41(24-22-39)36(44)31-25-33(28-9-5-3-6-10-28)38-34(26-31)29-11-7-4-8-12-29/h3-12,25-27,30,32H,13-24H2,1-2H3
InChIKeyCPPVIIQGQBFOFL-UHFFFAOYSA-N
XLogP5.42
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 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 propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (CID 46879503) is propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1.
What is the InChIKey of propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is CPPVIIQGQBFOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N5O4/c1-27(2)46-37(45)42-17-13-30(14-18-42)35(43)40-19-15-32(16-20-40)39-21-23-41(24-22-39)36(44)31-25-33(28-9-5-3-6-10-28)38-34(26-31)29-11-7-4-8-12-29/h3-12,25-27,30,32H,13-24H2,1-2H3.
What are the key properties of propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 623.80 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 46879503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).