7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one

C20H32N4O2 — CID 126941257

IUPAC7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one
SMILESCc1ncn(CC2CCN(CC3CCCCC(=O)N3C)CC2)c(=O)c1C
InChIInChI=1S/C20H32N4O2/c1-15-16(2)21-14-24(20(15)26)12-17-8-10-23(11-9-17)13-18-6-4-5-7-19(25)22(18)3/h14,17-18H,4-13H2,1-3H3
InChIKeyRBCRPAHLCAQVAM-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.97
Rot. Bonds4

About 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one

7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one (PubChem CID 126941257) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one.

Molecular Properties

Compound Name7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one
PubChem CID126941257
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one
SMILESCc1ncn(CC2CCN(CC3CCCCC(=O)N3C)CC2)c(=O)c1C
InChIInChI=1S/C20H32N4O2/c1-15-16(2)21-14-24(20(15)26)12-17-8-10-23(11-9-17)13-18-6-4-5-7-19(25)22(18)3/h14,17-18H,4-13H2,1-3H3
InChIKeyRBCRPAHLCAQVAM-UHFFFAOYSA-N
XLogP1.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one?
The IUPAC name of 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one (CID 126941257) is 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one.
What is the SMILES notation for 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one?
The canonical SMILES for 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one is Cc1ncn(CC2CCN(CC3CCCCC(=O)N3C)CC2)c(=O)c1C.
What is the InChIKey of 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one?
The InChIKey is RBCRPAHLCAQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-16(2)21-14-24(20(15)26)12-17-8-10-23(11-9-17)13-18-6-4-5-7-19(25)22(18)3/h14,17-18H,4-13H2,1-3H3.
What are the key properties of 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one?
7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one has a molecular weight of 360.50 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one is sourced from PubChem (CID 126941257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).