5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile

C17H30N6O — CID 138483751

IUPAC5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile
SMILESCCC1NCCCC1CN1CCN(C2CNNC(=O)C2C#N)CC1
InChIInChI=1S/C17H30N6O/c1-2-15-13(4-3-5-19-15)12-22-6-8-23(9-7-22)16-11-20-21-17(24)14(16)10-18/h13-16,19-20H,2-9,11-12H2,1H3,(H,21,24)
InChIKeyZLRSHFNDXALBFL-UHFFFAOYSA-N
MW334.47 g/mol
LogP-0.48
Rot. Bonds4

About 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile

5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile (PubChem CID 138483751) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile
PubChem CID138483751
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile
SMILESCCC1NCCCC1CN1CCN(C2CNNC(=O)C2C#N)CC1
InChIInChI=1S/C17H30N6O/c1-2-15-13(4-3-5-19-15)12-22-6-8-23(9-7-22)16-11-20-21-17(24)14(16)10-18/h13-16,19-20H,2-9,11-12H2,1H3,(H,21,24)
InChIKeyZLRSHFNDXALBFL-UHFFFAOYSA-N
XLogP-0.48
TPSA83.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[[2-(difluoromethyl)cyclohexyl]methyl]-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile
CID 168818586
4-chloro-1-[5-[[(3R)-4-(5-chloro-6-oxodiazinan-4-yl)-3-methylpiperazin-1-yl]methyl]-6-ethylpiperidin-2-yl]-5-[(2R)-2-methyl-4-[(2-methylpiperidin-3-yl)methyl]piperazin-1-yl]diazinan-3-one
CID 138483997
5-[3-(2-cyanocyclohexyl)-2,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-5-yl]-3-oxodiazinane-4-carbonitrile
CID 142546860
4-chloro-5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]diazinan-3-one
CID 168818777
(2S,3S)-2,3-diethylpiperidine
CID 89278402
2,3-diethylpiperidine;ethane
CID 144800386
2,3-diethylpiperidine;propane
CID 143653277
N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343585
4-bromo-5-[4-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazin-1-yl]diazinan-3-one
CID 168818629
4-bromo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]diazinan-3-one
CID 168818821
4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818767
1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
CID 168818618

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile?
The IUPAC name of 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile (CID 138483751) is 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile.
What is the SMILES notation for 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile?
The canonical SMILES for 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile is CCC1NCCCC1CN1CCN(C2CNNC(=O)C2C#N)CC1.
What is the InChIKey of 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile?
The InChIKey is ZLRSHFNDXALBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-2-15-13(4-3-5-19-15)12-22-6-8-23(9-7-22)16-11-20-21-17(24)14(16)10-18/h13-16,19-20H,2-9,11-12H2,1H3,(H,21,24).
What are the key properties of 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile?
5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile has a molecular weight of 334.47 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-3-oxodiazinane-4-carbonitrile is sourced from PubChem (CID 138483751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).