N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

C19H26N4O2 — CID 125175923

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)C1=CCCCC1
InChIInChI=1S/C19H26N4O2/c1-14(15-8-4-2-5-9-15)22-18(24)16-17(21-11-10-20-16)19(25)23-12-6-3-7-13-23/h8,10-11,14H,2-7,9,12-13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyKOUWGYFLMWHMRT-AWEZNQCLSA-N
MW342.44 g/mol
LogP2.72
Rot. Bonds4

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (PubChem CID 125175923) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
PubChem CID125175923
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)C1=CCCCC1
InChIInChI=1S/C19H26N4O2/c1-14(15-8-4-2-5-9-15)22-18(24)16-17(21-11-10-20-16)19(25)23-12-6-3-7-13-23/h8,10-11,14H,2-7,9,12-13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyKOUWGYFLMWHMRT-AWEZNQCLSA-N
XLogP2.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56704132
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 125435082
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[2-(dimethylsulfamoyl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 118765190
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
1-(piperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072568
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 125446192
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 118791672
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 164634372
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (CID 125175923) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is C[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)C1=CCCCC1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The InChIKey is KOUWGYFLMWHMRT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(15-8-4-2-5-9-15)22-18(24)16-17(21-11-10-20-16)19(25)23-12-6-3-7-13-23/h8,10-11,14H,2-7,9,12-13H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 125175923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).