N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide

C22H34N4O4 — CID 55603086

IUPACN,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C22H34N4O4/c1-3-24(4-2)20(27)17-23-10-6-11-25(15-14-23)21(28)18-8-12-26(13-9-18)22(29)19-7-5-16-30-19/h5,7,16,18H,3-4,6,8-15,17H2,1-2H3
InChIKeyWMZWVGUFAAGLNS-UHFFFAOYSA-N
MW418.54 g/mol
LogP1.53
Rot. Bonds6

About N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide

N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 55603086) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
PubChem CID55603086
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC NameN,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C22H34N4O4/c1-3-24(4-2)20(27)17-23-10-6-11-25(15-14-23)21(28)18-8-12-26(13-9-18)22(29)19-7-5-16-30-19/h5,7,16,18H,3-4,6,8-15,17H2,1-2H3
InChIKeyWMZWVGUFAAGLNS-UHFFFAOYSA-N
XLogP1.53
TPSA77.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide with MolForge

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Related Compounds

2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
N,N-diethyl-2-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55634289
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123655
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
N,N-diethyl-2-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55642349
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide (CID 55603086) is N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide is CCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is WMZWVGUFAAGLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-3-24(4-2)20(27)17-23-10-6-11-25(15-14-23)21(28)18-8-12-26(13-9-18)22(29)19-7-5-16-30-19/h5,7,16,18H,3-4,6,8-15,17H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide?
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 55603086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).