1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

C22H34N2O2 — CID 71146731

IUPAC1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESO=C(NC1CC[C@@H]2CC3CC1[C@@H](C3)C2)C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C22H34N2O2/c25-21(13-14-1-2-14)24-7-5-17(6-8-24)22(26)23-20-4-3-15-9-16-11-18(10-15)19(20)12-16/h14-20H,1-13H2,(H,23,26)/t15-,16?,18-,19?,20?/m1/s1
InChIKeyANLJSBACDMOIIR-ABVRHUDKSA-N
MW358.53 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (PubChem CID 71146731) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
PubChem CID71146731
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESO=C(NC1CC[C@@H]2CC3CC1[C@@H](C3)C2)C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C22H34N2O2/c25-21(13-14-1-2-14)24-7-5-17(6-8-24)22(26)23-20-4-3-15-9-16-11-18(10-15)19(20)12-16/h14-20H,1-13H2,(H,23,26)/t15-,16?,18-,19?,20?/m1/s1
InChIKeyANLJSBACDMOIIR-ABVRHUDKSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (CID 71146731) is 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is O=C(NC1CC[C@@H]2CC3CC1[C@@H](C3)C2)C1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The InChIKey is ANLJSBACDMOIIR-ABVRHUDKSA-N. The full InChI is InChI=1S/C22H34N2O2/c25-21(13-14-1-2-14)24-7-5-17(6-8-24)22(26)23-20-4-3-15-9-16-11-18(10-15)19(20)12-16/h14-20H,1-13H2,(H,23,26)/t15-,16?,18-,19?,20?/m1/s1.
What are the key properties of 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylacetyl)-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is sourced from PubChem (CID 71146731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).