1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide

C21H30N4O2 — CID 98845659

IUPAC1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H30N4O2/c26-20(24-19-3-1-2-9-22-19)16-7-11-25(12-8-16)21(27)23-10-6-18-14-15-4-5-17(18)13-15/h1-3,9,15-18H,4-8,10-14H2,(H,23,27)(H,22,24,26)/t15-,17-,18-/m0/s1
InChIKeyHUEOVVULXSUGRX-SZMVWBNQSA-N
MW370.50 g/mol
LogP3.27
Rot. Bonds5

About 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide

1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 98845659) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
PubChem CID98845659
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C21H30N4O2/c26-20(24-19-3-1-2-9-22-19)16-7-11-25(12-8-16)21(27)23-10-6-18-14-15-4-5-17(18)13-15/h1-3,9,15-18H,4-8,10-14H2,(H,23,27)(H,22,24,26)/t15-,17-,18-/m0/s1
InChIKeyHUEOVVULXSUGRX-SZMVWBNQSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide 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-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide (CID 98845659) is 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is HUEOVVULXSUGRX-SZMVWBNQSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-20(24-19-3-1-2-9-22-19)16-7-11-25(12-8-16)21(27)23-10-6-18-14-15-4-5-17(18)13-15/h1-3,9,15-18H,4-8,10-14H2,(H,23,27)(H,22,24,26)/t15-,17-,18-/m0/s1.
What are the key properties of 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide?
1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 98845659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).