1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide

C17H25N5O3 — CID 121154055

IUPAC1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESCc1ncn(CC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)c(=O)c1C
InChIInChI=1S/C17H25N5O3/c1-11-12(2)19-10-22(17(11)25)9-15(23)21-7-14(8-21)20-5-3-13(4-6-20)16(18)24/h10,13-14H,3-9H2,1-2H3,(H2,18,24)
InChIKeyLRRFRNJFQQPFPZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.73
Rot. Bonds4

About 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154055) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154055
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESCc1ncn(CC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)c(=O)c1C
InChIInChI=1S/C17H25N5O3/c1-11-12(2)19-10-22(17(11)25)9-15(23)21-7-14(8-21)20-5-3-13(4-6-20)16(18)24/h10,13-14H,3-9H2,1-2H3,(H2,18,24)
InChIKeyLRRFRNJFQQPFPZ-UHFFFAOYSA-N
XLogP-0.73
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535013
5,6-Dimethyl-3-({1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941379
5,6-Dimethyl-3-({1-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941383
3-{4-[(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}azepan-2-one
CID 126941384
4-[(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]-1'-methyl-[1,3'-bipiperidine]-2'-one
CID 126941386
4-[(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]-[1,3'-bipiperidine]-2'-one
CID 126941387
5,6-Dimethyl-3-{[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126941388
3-{[1-(1-Cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941389
5,6-Dimethyl-3-{[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126941390

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121154055) is 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide is Cc1ncn(CC(=O)N2CC(N3CCC(C(N)=O)CC3)C2)c(=O)c1C.
What is the InChIKey of 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is LRRFRNJFQQPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-12(2)19-10-22(17(11)25)9-15(23)21-7-14(8-21)20-5-3-13(4-6-20)16(18)24/h10,13-14H,3-9H2,1-2H3,(H2,18,24).
What are the key properties of 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).