4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide

C21H34N4O2 — CID 125447918

IUPAC4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)NCCN3CCCC[C@H]3C)CC2)c1
InChIInChI=1S/C21H34N4O2/c1-18-6-3-4-10-24(18)11-9-22-21(26)25-14-12-23(13-15-25)17-19-7-5-8-20(16-19)27-2/h5,7-8,16,18H,3-4,6,9-15,17H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyHWUMZCOQIQZTLZ-GOSISDBHSA-N
MW374.53 g/mol
LogP2.40
Rot. Bonds6

About 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide

4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide (PubChem CID 125447918) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
PubChem CID125447918
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)NCCN3CCCC[C@H]3C)CC2)c1
InChIInChI=1S/C21H34N4O2/c1-18-6-3-4-10-24(18)11-9-22-21(26)25-14-12-23(13-15-25)17-19-7-5-8-20(16-19)27-2/h5,7-8,16,18H,3-4,6,9-15,17H2,1-2H3,(H,22,26)/t18-/m1/s1
InChIKeyHWUMZCOQIQZTLZ-GOSISDBHSA-N
XLogP2.40
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
CID 126448550
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111251225
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
2-[(3-methoxyphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 24782975
[(3R,6S)-6-(dimethylamino)-1-methylazepan-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 165422363

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide (CID 125447918) is 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide is COc1cccc(CN2CCN(C(=O)NCCN3CCCC[C@H]3C)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is HWUMZCOQIQZTLZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-18-6-3-4-10-24(18)11-9-22-21(26)25-14-12-23(13-15-25)17-19-7-5-8-20(16-19)27-2/h5,7-8,16,18H,3-4,6,9-15,17H2,1-2H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 125447918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).