N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide

C20H29N3O2 — CID 98790490

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H29N3O2/c1-14(17-13-15-6-7-16(17)12-15)21-20(25)23-10-8-22(9-11-23)18-4-2-3-5-19(18)24/h2-5,14-17,24H,6-13H2,1H3,(H,21,25)/t14-,15+,16+,17-/m1/s1
InChIKeySDPPJKMPBXSRCS-LTIDMASMSA-N
MW343.47 g/mol
LogP3.05
Rot. Bonds3

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 98790490) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID98790490
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H29N3O2/c1-14(17-13-15-6-7-16(17)12-15)21-20(25)23-10-8-22(9-11-23)18-4-2-3-5-19(18)24/h2-5,14-17,24H,6-13H2,1H3,(H,21,25)/t14-,15+,16+,17-/m1/s1
InChIKeySDPPJKMPBXSRCS-LTIDMASMSA-N
XLogP3.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 98755354
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750861
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145468
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43008995
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798191
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide (CID 98790490) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccccc2O)CC1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is SDPPJKMPBXSRCS-LTIDMASMSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(17-13-15-6-7-16(17)12-15)21-20(25)23-10-8-22(9-11-23)18-4-2-3-5-19(18)24/h2-5,14-17,24H,6-13H2,1H3,(H,21,25)/t14-,15+,16+,17-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 98790490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).