1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide

C18H27N3O3 — CID 110086198

IUPAC1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCN(C(C)C)CC1C(N)=O
InChIInChI=1S/C18H27N3O3/c1-13(2)20-10-11-21(15(12-20)18(19)23)17(22)9-8-14-6-4-5-7-16(14)24-3/h4-7,13,15H,8-12H2,1-3H3,(H2,19,23)
InChIKeyPXMYPGJNRHGHPM-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.03
Rot. Bonds6

About 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide

1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110086198) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID110086198
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
SMILESCOc1ccccc1CCC(=O)N1CCN(C(C)C)CC1C(N)=O
InChIInChI=1S/C18H27N3O3/c1-13(2)20-10-11-21(15(12-20)18(19)23)17(22)9-8-14-6-4-5-7-16(14)24-3/h4-7,13,15H,8-12H2,1-3H3,(H2,19,23)
InChIKeyPXMYPGJNRHGHPM-UHFFFAOYSA-N
XLogP1.03
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-phenylpropanoyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 124951183
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 110708802
(2R)-1-[3-(2-methoxyphenyl)propanoyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95550232
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119517304
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 142202294
(2S)-4-[3-(2-methoxyphenyl)propanoyl]-1-methylpiperazine-2-carboxylic acid
CID 95194118
3-(2-methoxyphenyl)-1-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]propan-1-one
CID 172890049
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide (CID 110086198) is 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide is COc1ccccc1CCC(=O)N1CCN(C(C)C)CC1C(N)=O.
What is the InChIKey of 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is PXMYPGJNRHGHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)20-10-11-21(15(12-20)18(19)23)17(22)9-8-14-6-4-5-7-16(14)24-3/h4-7,13,15H,8-12H2,1-3H3,(H2,19,23).
What are the key properties of 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide?
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110086198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).