N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide

C26H39N3O3 — CID 86873844

IUPACN-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC(OC3CCCCC3)CC2)CC1
InChIInChI=1S/C26H39N3O3/c1-20-7-5-6-10-24(20)26(31)27-21-11-17-29(18-12-21)25(30)19-28-15-13-23(14-16-28)32-22-8-3-2-4-9-22/h5-7,10,21-23H,2-4,8-9,11-19H2,1H3,(H,27,31)
InChIKeyQDHVCYBFOCLYOC-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.53
Rot. Bonds6

About N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 86873844) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID86873844
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC NameN-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC(OC3CCCCC3)CC2)CC1
InChIInChI=1S/C26H39N3O3/c1-20-7-5-6-10-24(20)26(31)27-21-11-17-29(18-12-21)25(30)19-28-15-13-23(14-16-28)32-22-8-3-2-4-9-22/h5-7,10,21-23H,2-4,8-9,11-19H2,1H3,(H,27,31)
InChIKeyQDHVCYBFOCLYOC-UHFFFAOYSA-N
XLogP3.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
1-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909657
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
2-methyl-N-[1-[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]piperidin-4-yl]benzamide
CID 55688968
N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 87017011
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
2-methyl-N-[1-[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperidin-4-yl]benzamide
CID 46452089

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide (CID 86873844) is N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC(OC3CCCCC3)CC2)CC1.
What is the InChIKey of N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is QDHVCYBFOCLYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-20-7-5-6-10-24(20)26(31)27-21-11-17-29(18-12-21)25(30)19-28-15-13-23(14-16-28)32-22-8-3-2-4-9-22/h5-7,10,21-23H,2-4,8-9,11-19H2,1H3,(H,27,31).
What are the key properties of N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 441.62 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 86873844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).