1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide

C19H30N4O3 — CID 86855169

IUPAC1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
SMILESCOc1ccc(CCC(C)NC(=O)N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-15(5-6-16-7-9-17(26-4)10-8-16)20-18(24)22-11-13-23(14-12-22)19(25)21(2)3/h7-10,15H,5-6,11-14H2,1-4H3,(H,20,24)
InChIKeyVEKSJDGJXPBVCR-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.03
Rot. Bonds5

About 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide

1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide (PubChem CID 86855169) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
PubChem CID86855169
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
SMILESCOc1ccc(CCC(C)NC(=O)N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O3/c1-15(5-6-16-7-9-17(26-4)10-8-16)20-18(24)22-11-13-23(14-12-22)19(25)21(2)3/h7-10,15H,5-6,11-14H2,1-4H3,(H,20,24)
InChIKeyVEKSJDGJXPBVCR-UHFFFAOYSA-N
XLogP2.03
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide with MolForge

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Related Compounds

N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
CID 95155246
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 95588981
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea
CID 52505199
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide (CID 86855169) is 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide is COc1ccc(CCC(C)NC(=O)N2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide?
The InChIKey is VEKSJDGJXPBVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(5-6-16-7-9-17(26-4)10-8-16)20-18(24)22-11-13-23(14-12-22)19(25)21(2)3/h7-10,15H,5-6,11-14H2,1-4H3,(H,20,24).
What are the key properties of 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide?
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 86855169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).