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

C20H32N4O3 — CID 46381364

IUPACN-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H32N4O3/c1-3-24-17(14-18(25)22(2)20(24)27)23-12-10-15(11-13-23)19(26)21-16-8-6-4-5-7-9-16/h14-16H,3-13H2,1-2H3,(H,21,26)
InChIKeyQPROFPVTLOKKIE-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.62
Rot. Bonds4

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

N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381364) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381364
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H32N4O3/c1-3-24-17(14-18(25)22(2)20(24)27)23-12-10-15(11-13-23)19(26)21-16-8-6-4-5-7-9-16/h14-16H,3-13H2,1-2H3,(H,21,26)
InChIKeyQPROFPVTLOKKIE-UHFFFAOYSA-N
XLogP1.62
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46381377
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
CID 46381315
(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 93070814
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
CID 46381379
1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione
CID 46381369
(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 53107366
N-(3,4-dimethylphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53107376
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95085974
ethyl 4-[[(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 93061250
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 93070805
N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381364) is N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is CCn1c(N2CCC(C(=O)NC3CCCCCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is QPROFPVTLOKKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-24-17(14-18(25)22(2)20(24)27)23-12-10-15(11-13-23)19(26)21-16-8-6-4-5-7-9-16/h14-16H,3-13H2,1-2H3,(H,21,26).
What are the key properties of N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).