1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile

C23H29N5O2 — CID 142581592

IUPAC1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile
SMILESC=Cc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(N2CCC(C)(C#N)CC2)c1C=C
InChIInChI=1S/C23H29N5O2/c1-5-18-20(6-2)25-15-19(21(18)27-9-7-23(4,16-24)8-10-27)22(30)28-13-11-26(12-14-28)17(3)29/h5-6,15H,1-2,7-14H2,3-4H3
InChIKeyIEHOBEXMNWEZCQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.80
Rot. Bonds4

About 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile

1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 142581592) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile
PubChem CID142581592
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile
SMILESC=Cc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(N2CCC(C)(C#N)CC2)c1C=C
InChIInChI=1S/C23H29N5O2/c1-5-18-20(6-2)25-15-19(21(18)27-9-7-23(4,16-24)8-10-27)22(30)28-13-11-26(12-14-28)17(3)29/h5-6,15H,1-2,7-14H2,3-4H3
InChIKeyIEHOBEXMNWEZCQ-UHFFFAOYSA-N
XLogP2.80
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrile
CID 150013898
4-methyl-1-[5-(4-methylsulfonylpiperazine-1-carbonyl)thieno[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
CID 142581406
1-[5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[2,3-b]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581573
1-[6,7-difluoro-3-(4-methylsulfanylpiperazine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 174205260
1-[3-(4-ethylsulfinylpiperazine-1-carbonyl)-6,7-difluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581200
1-[3-(4-ethylsulfinylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581499
4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 142581619
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
CID 113364805
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
CID 107160760
1-[3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-(4-trimethylstannylphenyl)piperidine-4-carbonitrile
CID 171561032

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile (CID 142581592) is 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile is C=Cc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(N2CCC(C)(C#N)CC2)c1C=C.
What is the InChIKey of 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is IEHOBEXMNWEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-5-18-20(6-2)25-15-19(21(18)27-9-7-23(4,16-24)8-10-27)22(30)28-13-11-26(12-14-28)17(3)29/h5-6,15H,1-2,7-14H2,3-4H3.
What are the key properties of 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile?
1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 407.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-acetylpiperazine-1-carbonyl)-2,3-bis(ethenyl)-4-pyridinyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 142581592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).