3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one

C16H28N4O — CID 106644195

IUPAC3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCCN(CC1CCCNC1)c1nccn(C(C)C)c1=O
InChIInChI=1S/C16H28N4O/c1-4-9-19(12-14-6-5-7-17-11-14)15-16(21)20(13(2)3)10-8-18-15/h8,10,13-14,17H,4-7,9,11-12H2,1-3H3
InChIKeyZHPSLPPDKSXIFI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.04
Rot. Bonds6

About 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one

3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 106644195) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID106644195
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCCN(CC1CCCNC1)c1nccn(C(C)C)c1=O
InChIInChI=1S/C16H28N4O/c1-4-9-19(12-14-6-5-7-17-11-14)15-16(21)20(13(2)3)10-8-18-15/h8,10,13-14,17H,4-7,9,11-12H2,1-3H3
InChIKeyZHPSLPPDKSXIFI-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 79719529
1-cyclopropyl-3-[ethyl(piperidin-3-ylmethyl)amino]pyrazin-2-one
CID 106643625
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106621438
3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106642835
N-(piperidin-3-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106644149
N-ethyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106643419
1-cyclopropyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106619895
5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
CID 106644246
4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
N-(piperidin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 106644228

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one (CID 106644195) is 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one is CCCN(CC1CCCNC1)c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is ZHPSLPPDKSXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-19(12-14-6-5-7-17-11-14)15-16(21)20(13(2)3)10-8-18-15/h8,10,13-14,17H,4-7,9,11-12H2,1-3H3.
What are the key properties of 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 106644195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).