4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

C19H28N4O — CID 98873092

IUPAC4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1)c1cccnc1
InChIInChI=1S/C19H28N4O/c1-14(17-3-2-6-20-13-17)21-19(24)23-9-7-22(8-10-23)18-12-15-4-5-16(18)11-15/h2-3,6,13-16,18H,4-5,7-12H2,1H3,(H,21,24)/t14-,15+,16+,18-/m1/s1
InChIKeyFZXSTFAABFIESO-MUQADHOPSA-N
MW328.46 g/mol
LogP2.66
Rot. Bonds3

About 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide (PubChem CID 98873092) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
PubChem CID98873092
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1)c1cccnc1
InChIInChI=1S/C19H28N4O/c1-14(17-3-2-6-20-13-17)21-19(24)23-9-7-22(8-10-23)18-12-15-4-5-16(18)11-15/h2-3,6,13-16,18H,4-5,7-12H2,1H3,(H,21,24)/t14-,15+,16+,18-/m1/s1
InChIKeyFZXSTFAABFIESO-MUQADHOPSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 124778179
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 11897025
4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 41287111
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 126793673
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027741
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
3-[(4-methylpiperidin-1-yl)methyl]-N-(1-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 56825492
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]piperidine-1-carboxamide
CID 97089224

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide (CID 98873092) is 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1)c1cccnc1.
What is the InChIKey of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The InChIKey is FZXSTFAABFIESO-MUQADHOPSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(17-3-2-6-20-13-17)21-19(24)23-9-7-22(8-10-23)18-12-15-4-5-16(18)11-15/h2-3,6,13-16,18H,4-5,7-12H2,1H3,(H,21,24)/t14-,15+,16+,18-/m1/s1.
What are the key properties of 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 98873092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).