5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one

C20H31N5O — CID 126890686

IUPAC5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(CC3CCC(=O)N(C)C3)CC2)ncn1
InChIInChI=1S/C20H31N5O/c1-15-11-19(22-14-21-15)25(17-4-5-17)18-7-9-24(10-8-18)13-16-3-6-20(26)23(2)12-16/h11,14,16-18H,3-10,12-13H2,1-2H3
InChIKeyCWZQTFUHWOUFRM-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.09
Rot. Bonds5

About 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one

5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one (PubChem CID 126890686) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
PubChem CID126890686
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(CC3CCC(=O)N(C)C3)CC2)ncn1
InChIInChI=1S/C20H31N5O/c1-15-11-19(22-14-21-15)25(17-4-5-17)18-7-9-24(10-8-18)13-16-3-6-20(26)23(2)12-16/h11,14,16-18H,3-10,12-13H2,1-2H3
InChIKeyCWZQTFUHWOUFRM-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one with MolForge

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Related Compounds

1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126890673
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one
CID 126889501
1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
CID 138808378
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
1-methyl-5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]piperidin-2-one
CID 138383037
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126890682
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890598
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 138808942

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one (CID 126890686) is 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one is Cc1cc(N(C2CC2)C2CCN(CC3CCC(=O)N(C)C3)CC2)ncn1.
What is the InChIKey of 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The InChIKey is CWZQTFUHWOUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-11-19(22-14-21-15)25(17-4-5-17)18-7-9-24(10-8-18)13-16-3-6-20(26)23(2)12-16/h11,14,16-18H,3-10,12-13H2,1-2H3.
What are the key properties of 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one has a molecular weight of 357.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 126890686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).