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

C20H31N3O3 — CID 126448550

IUPAC4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)NCC[C@H]3CCCCO3)CC2)c1
InChIInChI=1S/C20H31N3O3/c1-25-19-7-4-5-17(15-19)16-22-10-12-23(13-11-22)20(24)21-9-8-18-6-2-3-14-26-18/h4-5,7,15,18H,2-3,6,8-14,16H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyNUXMXCWZWVTHSE-GOSISDBHSA-N
MW361.49 g/mol
LogP2.48
Rot. Bonds6

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

4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide (PubChem CID 126448550) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
PubChem CID126448550
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CN2CCN(C(=O)NCC[C@H]3CCCCO3)CC2)c1
InChIInChI=1S/C20H31N3O3/c1-25-19-7-4-5-17(15-19)16-22-10-12-23(13-11-22)20(24)21-9-8-18-6-2-3-14-26-18/h4-5,7,15,18H,2-3,6,8-14,16H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyNUXMXCWZWVTHSE-GOSISDBHSA-N
XLogP2.48
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 99959511
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94820300
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
CID 125447918
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[2-[(2S)-oxan-2-yl]ethyl]propanamide
CID 42392793
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
4-[(2,5-dimethoxyphenyl)methyl]-N'-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111303020
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide (CID 126448550) is 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide is COc1cccc(CN2CCN(C(=O)NCC[C@H]3CCCCO3)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is NUXMXCWZWVTHSE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-25-19-7-4-5-17(15-19)16-22-10-12-23(13-11-22)20(24)21-9-8-18-6-2-3-14-26-18/h4-5,7,15,18H,2-3,6,8-14,16H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide?
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.48, 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)-oxan-2-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 126448550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).