1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide

C15H22ClN3O2 — CID 10710197

IUPAC1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide
SMILESCN1CCN(Cc2ccccc2Cl)C(C(=O)NCCO)C1
InChIInChI=1S/C15H22ClN3O2/c1-18-7-8-19(10-12-4-2-3-5-13(12)16)14(11-18)15(21)17-6-9-20/h2-5,14,20H,6-11H2,1H3,(H,17,21)
InChIKeyMOLNGFNSZFSBSJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.56
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide (PubChem CID 10710197) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide
PubChem CID10710197
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide
SMILESCN1CCN(Cc2ccccc2Cl)C(C(=O)NCCO)C1
InChIInChI=1S/C15H22ClN3O2/c1-18-7-8-19(10-12-4-2-3-5-13(12)16)14(11-18)15(21)17-6-9-20/h2-5,14,20H,6-11H2,1H3,(H,17,21)
InChIKeyMOLNGFNSZFSBSJ-UHFFFAOYSA-N
XLogP0.56
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-amino-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 118759681
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
(2S,4S)-4-[(1-benzylpiperidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 45243303
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
(2S,4S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidine-2-carboxamide
CID 118755722
(2S,4S)-1-[(2-chlorophenyl)methyl]-4-(cycloheptylamino)-N-ethylpyrrolidine-2-carboxamide
CID 118755255
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
(2S,4S)-1-[(2-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)sulfanylpyrrolidine-2-carboxamide
CID 118758105
(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
N-[3-(azepan-1-yl)propyl]-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016925

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide (CID 10710197) is 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide is CN1CCN(Cc2ccccc2Cl)C(C(=O)NCCO)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide?
The InChIKey is MOLNGFNSZFSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-18-7-8-19(10-12-4-2-3-5-13(12)16)14(11-18)15(21)17-6-9-20/h2-5,14,20H,6-11H2,1H3,(H,17,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 10710197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).