5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one

C16H25N3O3 — CID 135090162

IUPAC5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
SMILESC=CCCC(=O)N1CCCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C16H25N3O3/c1-2-3-5-15(21)18-8-4-9-19(11-10-18)16(22)13-6-7-14(20)17-12-13/h2,13H,1,3-12H2,(H,17,20)
InChIKeyIENMMRYNSUOKCM-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.54
Rot. Bonds4

About 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one

5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one (PubChem CID 135090162) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
PubChem CID135090162
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
SMILESC=CCCC(=O)N1CCCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C16H25N3O3/c1-2-3-5-15(21)18-8-4-9-19(11-10-18)16(22)13-6-7-14(20)17-12-13/h2,13H,1,3-12H2,(H,17,20)
InChIKeyIENMMRYNSUOKCM-UHFFFAOYSA-N
XLogP0.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidin-2-one
CID 112732285
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746
5-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 134703056
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
CID 81470340
4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
CID 78954698
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 78928154
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821

Frequently Asked Questions

What is the IUPAC name of 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one (CID 135090162) is 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one is C=CCCC(=O)N1CCCN(C(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
The InChIKey is IENMMRYNSUOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-3-5-15(21)18-8-4-9-19(11-10-18)16(22)13-6-7-14(20)17-12-13/h2,13H,1,3-12H2,(H,17,20).
What are the key properties of 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one?
5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 135090162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).