1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide

C17H29N3O2 — CID 121154006

IUPAC1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CC3CCCCC3)C2)CC1
InChIInChI=1S/C17H29N3O2/c18-17(22)14-6-8-19(9-7-14)15-11-20(12-15)16(21)10-13-4-2-1-3-5-13/h13-15H,1-12H2,(H2,18,22)
InChIKeyTUWGNWYDHGBVGP-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.36
Rot. Bonds4

About 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154006) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154006
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)CC3CCCCC3)C2)CC1
InChIInChI=1S/C17H29N3O2/c18-17(22)14-6-8-19(9-7-14)15-11-20(12-15)16(21)10-13-4-2-1-3-5-13/h13-15H,1-12H2,(H2,18,22)
InChIKeyTUWGNWYDHGBVGP-UHFFFAOYSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]azetidine-3-carboxamide
CID 171675830
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
1-[1-[1-[2-(oxan-4-yl)acetyl]piperidin-4-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 171675938
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
2-cyclohexyl-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108066
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
1-(2-cycloheptylacetyl)-N'-hydroxypiperidine-3-carboximidamide
CID 104928900

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121154006) is 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)CC3CCCCC3)C2)CC1.
What is the InChIKey of 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is TUWGNWYDHGBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c18-17(22)14-6-8-19(9-7-14)15-11-20(12-15)16(21)10-13-4-2-1-3-5-13/h13-15H,1-12H2,(H2,18,22).
What are the key properties of 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).