ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate

C24H31N3O3 — CID 9183800

IUPACethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-30-24(29)25-22-11-9-21(10-12-22)23(28)27-15-13-26(14-16-27)17-19-5-7-20(8-6-19)18(2)3/h5-12,18H,4,13-17H2,1-3H3,(H,25,29)
InChIKeyOCCQJWDSDQLOJE-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.34
Rot. Bonds6

About ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate

ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate (PubChem CID 9183800) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
PubChem CID9183800
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Nameethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-30-24(29)25-22-11-9-21(10-12-22)23(28)27-15-13-26(14-16-27)17-19-5-7-20(8-6-19)18(2)3/h5-12,18H,4,13-17H2,1-3H3,(H,25,29)
InChIKeyOCCQJWDSDQLOJE-UHFFFAOYSA-N
XLogP4.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
CID 9183458
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
CID 31364987
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
ethyl 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]amino]propanoate
CID 17174332
2-[2-methoxy-4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenoxy]acetamide
CID 9092899
methyl 5-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate
CID 38770782
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450621
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
4-amino-1-(4-chlorobenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50913817

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate (CID 9183800) is ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
The InChIKey is OCCQJWDSDQLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-30-24(29)25-22-11-9-21(10-12-22)23(28)27-15-13-26(14-16-27)17-19-5-7-20(8-6-19)18(2)3/h5-12,18H,4,13-17H2,1-3H3,(H,25,29).
What are the key properties of ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate?
ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate has a molecular weight of 409.53 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 9183800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).