1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

C25H40N2O2 — CID 71146756

IUPAC1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC1[C@H](C2)C3)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C25H40N2O2/c28-24(16-17-4-2-1-3-5-17)27-10-8-20(9-11-27)25(29)26-23-7-6-18-12-19-14-21(13-18)22(23)15-19/h17-23H,1-16H2,(H,26,29)/t18?,19?,21-,22?,23?/m1/s1
InChIKeyWUZYWVNCLFAWSI-COSZCMBQSA-N
MW400.61 g/mol
LogP4.53
Rot. Bonds4

About 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (PubChem CID 71146756) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
PubChem CID71146756
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC Name1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC1[C@H](C2)C3)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C25H40N2O2/c28-24(16-17-4-2-1-3-5-17)27-10-8-20(9-11-27)25(29)26-23-7-6-18-12-19-14-21(13-18)22(23)15-19/h17-23H,1-16H2,(H,26,29)/t18?,19?,21-,22?,23?/m1/s1
InChIKeyWUZYWVNCLFAWSI-COSZCMBQSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (CID 71146756) is 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is O=C(NC1CCC2CC3CC1[C@H](C2)C3)C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The InChIKey is WUZYWVNCLFAWSI-COSZCMBQSA-N. The full InChI is InChI=1S/C25H40N2O2/c28-24(16-17-4-2-1-3-5-17)27-10-8-20(9-11-27)25(29)26-23-7-6-18-12-19-14-21(13-18)22(23)15-19/h17-23H,1-16H2,(H,26,29)/t18?,19?,21-,22?,23?/m1/s1.
What are the key properties of 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide has a molecular weight of 400.61 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylacetyl)-N-[(9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is sourced from PubChem (CID 71146756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).