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

C19H28N4O — CID 98344931

IUPAC4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccn1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C19H28N4O/c24-19(21-8-6-17-3-1-2-7-20-17)23-11-9-22(10-12-23)18-14-15-4-5-16(18)13-15/h1-3,7,15-16,18H,4-6,8-14H2,(H,21,24)/t15-,16-,18-/m1/s1
InChIKeyJUQWJWZWIPFUDU-JFIYKMOQSA-N
MW328.46 g/mol
LogP2.14
Rot. Bonds4

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

4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide (PubChem CID 98344931) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
PubChem CID98344931
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccn1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C19H28N4O/c24-19(21-8-6-17-3-1-2-7-20-17)23-11-9-22(10-12-23)18-14-15-4-5-16(18)13-15/h1-3,7,15-16,18H,4-6,8-14H2,(H,21,24)/t15-,16-,18-/m1/s1
InChIKeyJUQWJWZWIPFUDU-JFIYKMOQSA-N
XLogP2.14
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-pyridin-2-ylethyl)piperazine
CID 98775676
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
4-methylsulfonyl-N-(2-pyridin-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 119069721
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
4-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108379
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800182
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
CID 98845659

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide (CID 98344931) is 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide is O=C(NCCc1ccccn1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is JUQWJWZWIPFUDU-JFIYKMOQSA-N. The full InChI is InChI=1S/C19H28N4O/c24-19(21-8-6-17-3-1-2-7-20-17)23-11-9-22(10-12-23)18-14-15-4-5-16(18)13-15/h1-3,7,15-16,18H,4-6,8-14H2,(H,21,24)/t15-,16-,18-/m1/s1.
What are the key properties of 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide?
4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 98344931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).