3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one

C14H22N4O — CID 62938713

IUPAC3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(CNC3CC3)CC2)c1=O
InChIInChI=1S/C14H22N4O/c1-17-9-6-15-13(14(17)19)18-7-4-11(5-8-18)10-16-12-2-3-12/h6,9,11-12,16H,2-5,7-8,10H2,1H3
InChIKeyDCTLGOWDEDONSG-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.75
Rot. Bonds4

About 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 62938713) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID62938713
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(CNC3CC3)CC2)c1=O
InChIInChI=1S/C14H22N4O/c1-17-9-6-15-13(14(17)19)18-7-4-11(5-8-18)10-16-12-2-3-12/h6,9,11-12,16H,2-5,7-8,10H2,1H3
InChIKeyDCTLGOWDEDONSG-UHFFFAOYSA-N
XLogP0.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[(1S)-cyclohex-3-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343770
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
3-[(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129474458
1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
CID 62928367

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one (CID 62938713) is 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(CNC3CC3)CC2)c1=O.
What is the InChIKey of 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is DCTLGOWDEDONSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-9-6-15-13(14(17)19)18-7-4-11(5-8-18)10-16-12-2-3-12/h6,9,11-12,16H,2-5,7-8,10H2,1H3.
What are the key properties of 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 62938713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).