N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C20H30N4O4 — CID 6734588

IUPACN-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1
InChIInChI=1S/C20H30N4O4/c1-27-17-11-16(12-18(13-17)28-2)14-21-20(26)24-9-7-22(8-10-24)15-19(25)23-5-3-4-6-23/h11-13H,3-10,14-15H2,1-2H3,(H,21,26)
InChIKeyMHRFRHAWKTYXBH-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.15
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 6734588) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID6734588
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1
InChIInChI=1S/C20H30N4O4/c1-27-17-11-16(12-18(13-17)28-2)14-21-20(26)24-9-7-22(8-10-24)15-19(25)23-5-3-4-6-23/h11-13H,3-10,14-15H2,1-2H3,(H,21,26)
InChIKeyMHRFRHAWKTYXBH-UHFFFAOYSA-N
XLogP1.15
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 51129446
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
4-benzylsulfonyl-N-[(3,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 55909086
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 78899307
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 6734588) is N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is COc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is MHRFRHAWKTYXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-27-17-11-16(12-18(13-17)28-2)14-21-20(26)24-9-7-22(8-10-24)15-19(25)23-5-3-4-6-23/h11-13H,3-10,14-15H2,1-2H3,(H,21,26).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 6734588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).