(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide

C18H27N3O3 — CID 124940245

IUPAC(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCOC)CCN1CCc1ccccc1
InChIInChI=1S/C18H27N3O3/c1-19-18(23)16-14-21(17(22)9-13-24-2)12-11-20(16)10-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,23)/t16-/m1/s1
InChIKeyAEZNJQPBSOVKFB-MRXNPFEDSA-N
MW333.43 g/mol
LogP0.52
Rot. Bonds7

About (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide

(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124940245) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124940245
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCOC)CCN1CCc1ccccc1
InChIInChI=1S/C18H27N3O3/c1-19-18(23)16-14-21(17(22)9-13-24-2)12-11-20(16)10-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,23)/t16-/m1/s1
InChIKeyAEZNJQPBSOVKFB-MRXNPFEDSA-N
XLogP0.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086102
(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125025072
(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125018642
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide (CID 124940245) is (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)CCOC)CCN1CCc1ccccc1.
What is the InChIKey of (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is AEZNJQPBSOVKFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-18(23)16-14-21(17(22)9-13-24-2)12-11-20(16)10-8-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,19,23)/t16-/m1/s1.
What are the key properties of (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124940245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).