4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide

C20H29N3O2 — CID 98344798

IUPAC4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(CO)c1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C20H29N3O2/c24-14-17-3-1-2-16(10-17)13-21-20(25)23-8-6-22(7-9-23)19-12-15-4-5-18(19)11-15/h1-3,10,15,18-19,24H,4-9,11-14H2,(H,21,25)/t15-,18-,19+/m1/s1
InChIKeyRNKGGPNZOSGTET-LZQZEXGQSA-N
MW343.47 g/mol
LogP2.19
Rot. Bonds4

About 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide

4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 98344798) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID98344798
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(CO)c1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C20H29N3O2/c24-14-17-3-1-2-16(10-17)13-21-20(25)23-8-6-22(7-9-23)19-12-15-4-5-18(19)11-15/h1-3,10,15,18-19,24H,4-9,11-14H2,(H,21,25)/t15-,18-,19+/m1/s1
InChIKeyRNKGGPNZOSGTET-LZQZEXGQSA-N
XLogP2.19
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 98344931
4-[[4-(2-bicyclo[2.2.1]heptanyl)piperazine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027741
N-(3-acetamidopropyl)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 129378400
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
CID 11896902
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800182
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
1-[4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1148106
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
[4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 11897025
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 98873092
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 124778179
N-[[3-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 122558265

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide (CID 98344798) is 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide is O=C(NCc1cccc(CO)c1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is RNKGGPNZOSGTET-LZQZEXGQSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-14-17-3-1-2-16(10-17)13-21-20(25)23-8-6-22(7-9-23)19-12-15-4-5-18(19)11-15/h1-3,10,15,18-19,24H,4-9,11-14H2,(H,21,25)/t15-,18-,19+/m1/s1.
What are the key properties of 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide?
4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 98344798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).