4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide

C23H37N3O3 — CID 75392754

IUPAC4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide
SMILESCOCC(O)CN1CCC(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N3O3/c1-25(20-6-4-3-5-7-20)21-10-8-18(9-11-21)23(28)24-19-12-14-26(15-13-19)16-22(27)17-29-2/h8-11,19-20,22,27H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeyJGBRFKUILIKJLX-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.66
Rot. Bonds8

About 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide

4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide (PubChem CID 75392754) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide
PubChem CID75392754
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide
SMILESCOCC(O)CN1CCC(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H37N3O3/c1-25(20-6-4-3-5-7-20)21-10-8-18(9-11-21)23(28)24-19-12-14-26(15-13-19)16-22(27)17-29-2/h8-11,19-20,22,27H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeyJGBRFKUILIKJLX-UHFFFAOYSA-N
XLogP2.66
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide
CID 43814693
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
CID 24574365
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[4-[[[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]amino]methyl]phenyl]acetamide
CID 71907092
N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
CID 97079220
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide (CID 75392754) is 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide is COCC(O)CN1CCC(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide?
The InChIKey is JGBRFKUILIKJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-25(20-6-4-3-5-7-20)21-10-8-18(9-11-21)23(28)24-19-12-14-26(15-13-19)16-22(27)17-29-2/h8-11,19-20,22,27H,3-7,12-17H2,1-2H3,(H,24,28).
What are the key properties of 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide?
4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide has a molecular weight of 403.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75392754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).