4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide

C20H28N4O — CID 124829259

IUPAC4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
SMILESC[C@H](c1ccccn1)N1CCN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1
InChIInChI=1S/C20H28N4O/c1-13(16-4-2-3-7-21-16)23-8-10-24(11-9-23)20(25)22-19-17-14-5-6-15(12-14)18(17)19/h2-4,7,13-15,17-19H,5-6,8-12H2,1H3,(H,22,25)/t13-,14+,15+,17-,18-/m1/s1
InChIKeyDMNTUVFWWWRKHI-MISMHTLLSA-N
MW340.47 g/mol
LogP2.51
Rot. Bonds3

About 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide

4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide (PubChem CID 124829259) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
PubChem CID124829259
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
SMILESC[C@H](c1ccccn1)N1CCN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1
InChIInChI=1S/C20H28N4O/c1-13(16-4-2-3-7-21-16)23-8-10-24(11-9-23)20(25)22-19-17-14-5-6-15(12-14)18(17)19/h2-4,7,13-15,17-19H,5-6,8-12H2,1H3,(H,22,25)/t13-,14+,15+,17-,18-/m1/s1
InChIKeyDMNTUVFWWWRKHI-MISMHTLLSA-N
XLogP2.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308542
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760
(3S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-3-ol
CID 86329912
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 84600185

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide (CID 124829259) is 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide is C[C@H](c1ccccn1)N1CCN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CC1.
What is the InChIKey of 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide?
The InChIKey is DMNTUVFWWWRKHI-MISMHTLLSA-N. The full InChI is InChI=1S/C20H28N4O/c1-13(16-4-2-3-7-21-16)23-8-10-24(11-9-23)20(25)22-19-17-14-5-6-15(12-14)18(17)19/h2-4,7,13-15,17-19H,5-6,8-12H2,1H3,(H,22,25)/t13-,14+,15+,17-,18-/m1/s1.
What are the key properties of 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide?
4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide is sourced from PubChem (CID 124829259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).