N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

C17H26N4O3 — CID 46381307

IUPACN-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-19-14(11-15(22)20(2)17(19)24)21-9-7-12(8-10-21)16(23)18-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,18,23)
InChIKeyAGGIHRCRZDBXJC-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.36
Rot. Bonds3

About N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide

N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381307) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381307
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-19-14(11-15(22)20(2)17(19)24)21-9-7-12(8-10-21)16(23)18-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,18,23)
InChIKeyAGGIHRCRZDBXJC-UHFFFAOYSA-N
XLogP0.36
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381307) is N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)NC3CCCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is AGGIHRCRZDBXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-14(11-15(22)20(2)17(19)24)21-9-7-12(8-10-21)16(23)18-13-5-3-4-6-13/h11-13H,3-10H2,1-2H3,(H,18,23).
What are the key properties of N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).