N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide

C19H28N4O — CID 91942523

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H28N4O/c24-18(8-7-17-15-20-11-12-21-17)22-16-19(9-3-1-4-10-19)23-13-5-2-6-14-23/h7-8,11-12,15H,1-6,9-10,13-14,16H2,(H,22,24)
InChIKeyATJJEXPVUQPBRV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide

N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 91942523) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID91942523
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H28N4O/c24-18(8-7-17-15-20-11-12-21-17)22-16-19(9-3-1-4-10-19)23-13-5-2-6-14-23/h7-8,11-12,15H,1-6,9-10,13-14,16H2,(H,22,24)
InChIKeyATJJEXPVUQPBRV-UHFFFAOYSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide (CID 91942523) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide is O=C(C=Cc1cnccn1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is ATJJEXPVUQPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c24-18(8-7-17-15-20-11-12-21-17)22-16-19(9-3-1-4-10-19)23-13-5-2-6-14-23/h7-8,11-12,15H,1-6,9-10,13-14,16H2,(H,22,24).
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 328.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 91942523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).