4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide

C20H30N4O3 — CID 119064722

IUPAC4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCCC3CCCN3C)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-22-11-3-4-17(22)9-10-21-20(26)24-14-12-23(13-15-24)19(25)16-5-7-18(27-2)8-6-16/h5-8,17H,3-4,9-15H2,1-2H3,(H,21,26)
InChIKeyCMIRBDBQZSYJQE-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.65
Rot. Bonds5

About 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide

4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 119064722) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID119064722
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCCC3CCCN3C)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-22-11-3-4-17(22)9-10-21-20(26)24-14-12-23(13-15-24)19(25)16-5-7-18(27-2)8-6-16/h5-8,17H,3-4,9-15H2,1-2H3,(H,21,26)
InChIKeyCMIRBDBQZSYJQE-UHFFFAOYSA-N
XLogP1.65
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23938280
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340085
[(2R,3S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]carbamate
CID 176952432
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide (CID 119064722) is 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)NCCC3CCCN3C)CC2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is CMIRBDBQZSYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-22-11-3-4-17(22)9-10-21-20(26)24-14-12-23(13-15-24)19(25)16-5-7-18(27-2)8-6-16/h5-8,17H,3-4,9-15H2,1-2H3,(H,21,26).
What are the key properties of 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide?
4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 119064722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).