4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide

C18H29N3O3 — CID 113110884

IUPAC4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O3/c1-4-5-6-9-19-18(22)21-12-10-20(11-13-21)15-7-8-16(23-2)17(14-15)24-3/h7-8,14H,4-6,9-13H2,1-3H3,(H,19,22)
InChIKeyKSZMHAYLJVCXEI-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.73
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide

4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide (PubChem CID 113110884) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
PubChem CID113110884
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
SMILESCCCCCNC(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C18H29N3O3/c1-4-5-6-9-19-18(22)21-12-10-20(11-13-21)15-7-8-16(23-2)17(14-15)24-3/h7-8,14H,4-6,9-13H2,1-3H3,(H,19,22)
InChIKeyKSZMHAYLJVCXEI-UHFFFAOYSA-N
XLogP2.73
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 3970845
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909
4-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110926
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide (CID 113110884) is 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide is CCCCCNC(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide?
The InChIKey is KSZMHAYLJVCXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-5-6-9-19-18(22)21-12-10-20(11-13-21)15-7-8-16(23-2)17(14-15)24-3/h7-8,14H,4-6,9-13H2,1-3H3,(H,19,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide?
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113110884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).