3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one

C19H29N5O2 — CID 126891300

IUPAC3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
SMILESCOc1cc(N(C2CC2)C2CCN(C3CCCN(C)C3=O)CC2)ncn1
InChIInChI=1S/C19H29N5O2/c1-22-9-3-4-16(19(22)25)23-10-7-15(8-11-23)24(14-5-6-14)17-12-18(26-2)21-13-20-17/h12-16H,3-11H2,1-2H3
InChIKeyFLFAFZDMAJUWBE-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.54
Rot. Bonds5

About 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one

3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one (PubChem CID 126891300) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
PubChem CID126891300
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
SMILESCOc1cc(N(C2CC2)C2CCN(C3CCCN(C)C3=O)CC2)ncn1
InChIInChI=1S/C19H29N5O2/c1-22-9-3-4-16(19(22)25)23-10-7-15(8-11-23)24(14-5-6-14)17-12-18(26-2)21-13-20-17/h12-16H,3-11H2,1-2H3
InChIKeyFLFAFZDMAJUWBE-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 126891297
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126891176
6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126891075
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
3-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]piperidin-2-one
CID 126891599
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126891112
N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326432
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072

Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one?
The IUPAC name of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one (CID 126891300) is 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one is COc1cc(N(C2CC2)C2CCN(C3CCCN(C)C3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one?
The InChIKey is FLFAFZDMAJUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22-9-3-4-16(19(22)25)23-10-7-15(8-11-23)24(14-5-6-14)17-12-18(26-2)21-13-20-17/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one?
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 126891300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).