N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide

C19H32N4O4 — CID 20955479

IUPACN-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
SMILESCOCCN1CCN(C2CCN(C(=O)NC3CCCCC3)CC2)C(=O)C1=O
InChIInChI=1S/C19H32N4O4/c1-27-14-13-21-11-12-23(18(25)17(21)24)16-7-9-22(10-8-16)19(26)20-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3,(H,20,26)
InChIKeyNHQOBDPYYUPFCX-UHFFFAOYSA-N
MW380.49 g/mol
LogP0.81
Rot. Bonds5

About N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide

N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide (PubChem CID 20955479) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
PubChem CID20955479
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC NameN-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
SMILESCOCCN1CCN(C2CCN(C(=O)NC3CCCCC3)CC2)C(=O)C1=O
InChIInChI=1S/C19H32N4O4/c1-27-14-13-21-11-12-23(18(25)17(21)24)16-7-9-22(10-8-16)19(26)20-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3,(H,20,26)
InChIKeyNHQOBDPYYUPFCX-UHFFFAOYSA-N
XLogP0.81
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide (CID 20955479) is N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide is COCCN1CCN(C2CCN(C(=O)NC3CCCCC3)CC2)C(=O)C1=O.
What is the InChIKey of N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
The InChIKey is NHQOBDPYYUPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-27-14-13-21-11-12-23(18(25)17(21)24)16-7-9-22(10-8-16)19(26)20-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3,(H,20,26).
What are the key properties of N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 20955479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).