N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide

C19H22N4O — CID 71889315

IUPACN-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H22N4O/c24-19(8-7-18-14-20-9-10-21-18)22-17-6-4-5-16(13-17)15-23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12,15H2,(H,22,24)
InChIKeyOAPWKABUUKLUTP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.11
Rot. Bonds5

About N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide

N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 71889315) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID71889315
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnccn1)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H22N4O/c24-19(8-7-18-14-20-9-10-21-18)22-17-6-4-5-16(13-17)15-23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12,15H2,(H,22,24)
InChIKeyOAPWKABUUKLUTP-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.11
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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Related Compounds

(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 34455096
N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889289
(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
CID 75363586
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 91942523
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide (CID 71889315) is N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide is O=C(C=Cc1cnccn1)Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is OAPWKABUUKLUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(8-7-18-14-20-9-10-21-18)22-17-6-4-5-16(13-17)15-23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12,15H2,(H,22,24).
What are the key properties of N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide?
N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 71889315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).