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

C19H30N4O3 — CID 46381274

IUPACN-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H30N4O3/c1-21-16(13-17(24)22(2)19(21)26)23-11-9-14(10-12-23)18(25)20-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyZPVKAHITCDIQHQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.14
Rot. Bonds3

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

N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381274) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381274
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H30N4O3/c1-21-16(13-17(24)22(2)19(21)26)23-11-9-14(10-12-23)18(25)20-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyZPVKAHITCDIQHQ-UHFFFAOYSA-N
XLogP1.14
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381274) is N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is ZPVKAHITCDIQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-21-16(13-17(24)22(2)19(21)26)23-11-9-14(10-12-23)18(25)20-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,20,25).
What are the key properties of N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).