1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one

C20H31N5O — CID 126890673

IUPAC1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(CCN3CCCCC3=O)CC2)ncn1
InChIInChI=1S/C20H31N5O/c1-16-14-19(22-15-21-16)25(17-5-6-17)18-7-10-23(11-8-18)12-13-24-9-3-2-4-20(24)26/h14-15,17-18H,2-13H2,1H3
InChIKeyWBROHPDCOJKYOX-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.23
Rot. Bonds6

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

1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one (PubChem CID 126890673) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
PubChem CID126890673
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(CCN3CCCCC3=O)CC2)ncn1
InChIInChI=1S/C20H31N5O/c1-16-14-19(22-15-21-16)25(17-5-6-17)18-7-10-23(11-8-18)12-13-24-9-3-2-4-20(24)26/h14-15,17-18H,2-13H2,1H3
InChIKeyWBROHPDCOJKYOX-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126890732
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
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126890682
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890598
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890717
4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 126890430
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one (CID 126890673) is 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one is Cc1cc(N(C2CC2)C2CCN(CCN3CCCCC3=O)CC2)ncn1.
What is the InChIKey of 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
The InChIKey is WBROHPDCOJKYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-16-14-19(22-15-21-16)25(17-5-6-17)18-7-10-23(11-8-18)12-13-24-9-3-2-4-20(24)26/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one?
1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one has a molecular weight of 357.50 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 126890673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).