2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

C20H36N2O3 — CID 46295214

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H36N2O3/c1-16(2)25-14-6-11-21-19(23)15-17-9-12-22(13-10-17)20(24)18-7-4-3-5-8-18/h16-18H,3-15H2,1-2H3,(H,21,23)
InChIKeyLXBVOBJMWZFKMH-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.13
Rot. Bonds8

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 46295214) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID46295214
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H36N2O3/c1-16(2)25-14-6-11-21-19(23)15-17-9-12-22(13-10-17)20(24)18-7-4-3-5-8-18/h16-18H,3-15H2,1-2H3,(H,21,23)
InChIKeyLXBVOBJMWZFKMH-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
2-(oxetan-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 84575429
1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287847
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50768066
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53118710
5-(azepan-1-yl)-3,3-dimethyl-5-oxo-N-(3-propan-2-yloxypropyl)pentanamide
CID 25246793
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-methylbutan-2-one
CID 155710662

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 46295214) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is LXBVOBJMWZFKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-16(2)25-14-6-11-21-19(23)15-17-9-12-22(13-10-17)20(24)18-7-4-3-5-8-18/h16-18H,3-15H2,1-2H3,(H,21,23).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 352.52 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 46295214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).