N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide

C20H30N4O3 — CID 138044085

IUPACN-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCN2C)CC1
InChIInChI=1S/C20H30N4O3/c1-3-27-18-9-5-4-7-16(18)15-21-20(26)24-13-11-23(12-14-24)19(25)17-8-6-10-22(17)2/h4-5,7,9,17H,3,6,8,10-15H2,1-2H3,(H,21,26)
InChIKeyLFGSQQWVIYDZHF-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.53
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide

N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide (PubChem CID 138044085) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
PubChem CID138044085
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCN2C)CC1
InChIInChI=1S/C20H30N4O3/c1-3-27-18-9-5-4-7-16(18)15-21-20(26)24-13-11-23(12-14-24)19(25)17-8-6-10-22(17)2/h4-5,7,9,17H,3,6,8,10-15H2,1-2H3,(H,21,26)
InChIKeyLFGSQQWVIYDZHF-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765233
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 119072836
4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 110357392
N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 127596134
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110613303
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
CID 110922264
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide (CID 138044085) is N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide is CCOc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCN2C)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is LFGSQQWVIYDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-27-18-9-5-4-7-16(18)15-21-20(26)24-13-11-23(12-14-24)19(25)17-8-6-10-22(17)2/h4-5,7,9,17H,3,6,8,10-15H2,1-2H3,(H,21,26).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide?
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 138044085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).