N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide

C25H38N4O3 — CID 55683412

IUPACN,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1
InChIInChI=1S/C25H38N4O3/c1-5-26(6-2)25(32)29-13-11-22(12-14-29)24(31)28-17-15-27(16-18-28)23(30)21-9-7-20(8-10-21)19(3)4/h7-10,19,22H,5-6,11-18H2,1-4H3
InChIKeyAJVWFHVUHMVGCL-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.27
Rot. Bonds5

About N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide

N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 55683412) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID55683412
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC NameN,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1
InChIInChI=1S/C25H38N4O3/c1-5-26(6-2)25(32)29-13-11-22(12-14-29)24(31)28-17-15-27(16-18-28)23(30)21-9-7-20(8-10-21)19(3)4/h7-10,19,22H,5-6,11-18H2,1-4H3
InChIKeyAJVWFHVUHMVGCL-UHFFFAOYSA-N
XLogP3.27
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123655
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55721678
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
CID 34221114

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide (CID 55683412) is N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is AJVWFHVUHMVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-5-26(6-2)25(32)29-13-11-22(12-14-29)24(31)28-17-15-27(16-18-28)23(30)21-9-7-20(8-10-21)19(3)4/h7-10,19,22H,5-6,11-18H2,1-4H3.
What are the key properties of N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 55683412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).