4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide

C16H25N3O2 — CID 110290209

IUPAC4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
SMILESCOCCN1C(C)CN(C(=O)Nc2ccccc2)CC1C
InChIInChI=1S/C16H25N3O2/c1-13-11-18(12-14(2)19(13)9-10-21-3)16(20)17-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,17,20)
InChIKeyZHFSCKFZAMTFOH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.26
Rot. Bonds4

About 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide

4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide (PubChem CID 110290209) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
PubChem CID110290209
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide
SMILESCOCCN1C(C)CN(C(=O)Nc2ccccc2)CC1C
InChIInChI=1S/C16H25N3O2/c1-13-11-18(12-14(2)19(13)9-10-21-3)16(20)17-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,17,20)
InChIKeyZHFSCKFZAMTFOH-UHFFFAOYSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoate
CID 118367502
4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoic acid
CID 118367030
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
[4-chloro-3-[2-[2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]ethoxy]phenyl] acetate
CID 69123208
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
(8aR)-2-(2-methoxyethyl)-3-oxo-N-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368528
(2-chlorophenyl)-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110290214
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354446
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110413023
1-[(3S,5R)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 97023983

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide (CID 110290209) is 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide is COCCN1C(C)CN(C(=O)Nc2ccccc2)CC1C.
What is the InChIKey of 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZHFSCKFZAMTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-11-18(12-14(2)19(13)9-10-21-3)16(20)17-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,17,20).
What are the key properties of 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide?
4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3,5-dimethyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110290209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).