N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide

C19H28N2O2 — CID 111560567

IUPACN-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-18(20-15-19(23)11-3-1-4-12-19)16-7-9-17(10-8-16)21-13-5-2-6-14-21/h7-10,23H,1-6,11-15H2,(H,20,22)
InChIKeyCMDVYUUILYYWAA-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.10
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide

N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide (PubChem CID 111560567) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
PubChem CID111560567
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-18(20-15-19(23)11-3-1-4-12-19)16-7-9-17(10-8-16)21-13-5-2-6-14-21/h7-10,23H,1-6,11-15H2,(H,20,22)
InChIKeyCMDVYUUILYYWAA-UHFFFAOYSA-N
XLogP3.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 46951890
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide (CID 111560567) is N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide is O=C(NCC1(O)CCCCC1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide?
The InChIKey is CMDVYUUILYYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18(20-15-19(23)11-3-1-4-12-19)16-7-9-17(10-8-16)21-13-5-2-6-14-21/h7-10,23H,1-6,11-15H2,(H,20,22).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide?
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide has a molecular weight of 316.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 111560567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).