4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

C15H23N3O3 — CID 95145813

IUPAC4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C[C@@H](C)O)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-12(19)11-17-6-8-18(9-7-17)15(20)16-13-4-3-5-14(10-13)21-2/h3-5,10,12,19H,6-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyCVVXFWQRVXDWFE-GFCCVEGCSA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds4

About 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 95145813) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID95145813
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C[C@@H](C)O)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-12(19)11-17-6-8-18(9-7-17)15(20)16-13-4-3-5-14(10-13)21-2/h3-5,10,12,19H,6-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyCVVXFWQRVXDWFE-GFCCVEGCSA-N
XLogP1.23
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(4-methylpentyl)piperazine-1-carboxamide
CID 59413874
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
ethyl 2-[3-[[4-[(2S)-2-hydroxypropyl]piperazine-1-carbonyl]amino]phenyl]acetate
CID 122132892
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
2-[(4-acetylpiperazin-1-yl)methyl]-4-(3-methoxyanilino)-4-oxobutanoic acid
CID 52996918
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 95145813) is 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(C[C@@H](C)O)CC2)c1.
What is the InChIKey of 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is CVVXFWQRVXDWFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(19)11-17-6-8-18(9-7-17)15(20)16-13-4-3-5-14(10-13)21-2/h3-5,10,12,19H,6-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 95145813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).