2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C22H35N3O2 — CID 56672420

IUPAC2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1
InChIInChI=1S/C22H35N3O2/c1-18(2)24-13-15-25(16-14-24)22(11-7-4-8-12-22)17-23-21(26)19-9-5-6-10-20(19)27-3/h5-6,9-10,18H,4,7-8,11-17H2,1-3H3,(H,23,26)
InChIKeyICQOHPXXADVTOI-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.15
Rot. Bonds6

About 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide

2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 56672420) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID56672420
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1
InChIInChI=1S/C22H35N3O2/c1-18(2)24-13-15-25(16-14-24)22(11-7-4-8-12-22)17-23-21(26)19-9-5-6-10-20(19)27-3/h5-6,9-10,18H,4,7-8,11-17H2,1-3H3,(H,23,26)
InChIKeyICQOHPXXADVTOI-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
CID 20994940
2-chloro-3-methoxy-N-[[1-(4-propylsulfonylpiperazin-1-yl)cycloheptyl]methyl]benzamide
CID 54764431
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 22240842
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 56672420) is 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide is COc1ccccc1C(=O)NCC1(N2CCN(C(C)C)CC2)CCCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is ICQOHPXXADVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18(2)24-13-15-25(16-14-24)22(11-7-4-8-12-22)17-23-21(26)19-9-5-6-10-20(19)27-3/h5-6,9-10,18H,4,7-8,11-17H2,1-3H3,(H,23,26).
What are the key properties of 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 373.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 56672420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).