[4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C22H26N4O — CID 171139794

IUPAC[4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(N(CC=Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C22H26N4O/c27-22(21-17-23-12-13-24-21)25-15-10-20(11-16-25)26(19-8-9-19)14-4-7-18-5-2-1-3-6-18/h1-7,12-13,17,19-20H,8-11,14-16H2
InChIKeyVCQPEBJUKXMJME-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.26
Rot. Bonds6

About [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 171139794) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID171139794
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(N(CC=Cc2ccccc2)C2CC2)CC1
InChIInChI=1S/C22H26N4O/c27-22(21-17-23-12-13-24-21)25-15-10-20(11-16-25)26(19-8-9-19)14-4-7-18-5-2-1-3-6-18/h1-7,12-13,17,19-20H,8-11,14-16H2
InChIKeyVCQPEBJUKXMJME-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031784
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 131952112
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 126436258
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 171139794) is [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(N(CC=Cc2ccccc2)C2CC2)CC1.
What is the InChIKey of [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is VCQPEBJUKXMJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(21-17-23-12-13-24-21)25-15-10-20(11-16-25)26(19-8-9-19)14-4-7-18-5-2-1-3-6-18/h1-7,12-13,17,19-20H,8-11,14-16H2.
What are the key properties of [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(3-phenylprop-2-enyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 171139794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).