N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide

C19H31N3O2 — CID 110358210

IUPACN,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CCCc2ccccc2OC)CC1
InChIInChI=1S/C19H31N3O2/c1-4-21(5-2)19(23)22-15-13-20(14-16-22)12-8-10-17-9-6-7-11-18(17)24-3/h6-7,9,11H,4-5,8,10,12-16H2,1-3H3
InChIKeyHLDNZGSNRVTQHV-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.71
Rot. Bonds7

About N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide

N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide (PubChem CID 110358210) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
PubChem CID110358210
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CCCc2ccccc2OC)CC1
InChIInChI=1S/C19H31N3O2/c1-4-21(5-2)19(23)22-15-13-20(14-16-22)12-8-10-17-9-6-7-11-18(17)24-3/h6-7,9,11H,4-5,8,10,12-16H2,1-3H3
InChIKeyHLDNZGSNRVTQHV-UHFFFAOYSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-cyclopentylsulfonyl-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356564
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-[3-(2-methoxyphenyl)propyl]piperazin-1-yl]methanone
CID 110356563
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-(2-methoxyethylsulfonyl)-4-[3-(2-methoxyphenyl)propyl]piperazine
CID 110356569
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
N-(3,4-dimethylphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109251
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153561
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide (CID 110358210) is N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CCCc2ccccc2OC)CC1.
What is the InChIKey of N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is HLDNZGSNRVTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-21(5-2)19(23)22-15-13-20(14-16-22)12-8-10-17-9-6-7-11-18(17)24-3/h6-7,9,11H,4-5,8,10,12-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide?
N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(2-methoxyphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 110358210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).