4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C25H39N3O — CID 46951890

IUPAC4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCC1CCN(c2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)CC1
InChIInChI=1S/C25H39N3O/c1-21-12-18-27(19-13-21)23-10-8-22(9-11-23)24(29)26-20-25(14-4-2-5-15-25)28-16-6-3-7-17-28/h8-11,21H,2-7,12-20H2,1H3,(H,26,29)
InChIKeyQCTZHKPAPFRQPB-UHFFFAOYSA-N
MW397.61 g/mol
LogP4.84
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 46951890) has the molecular formula C25H39N3O and a molecular weight of 397.61 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID46951890
Molecular FormulaC25H39N3O
Molecular Weight397.61 g/mol
Exact Mass397.31
IUPAC Name4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCC1CCN(c2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)CC1
InChIInChI=1S/C25H39N3O/c1-21-12-18-27(19-13-21)23-10-8-22(9-11-23)24(29)26-20-25(14-4-2-5-15-25)28-16-6-3-7-17-28/h8-11,21H,2-7,12-20H2,1H3,(H,26,29)
InChIKeyQCTZHKPAPFRQPB-UHFFFAOYSA-N
XLogP4.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 7824799
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide
CID 166401796
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 46951890) is 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CC1CCN(c2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is QCTZHKPAPFRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O/c1-21-12-18-27(19-13-21)23-10-8-22(9-11-23)24(29)26-20-25(14-4-2-5-15-25)28-16-6-3-7-17-28/h8-11,21H,2-7,12-20H2,1H3,(H,26,29).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 397.61 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 46951890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).