cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone

C20H27N3O4 — CID 113005207

IUPACcyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C20H27N3O4/c24-18(15-3-1-4-15)21-8-6-16(7-9-21)19(25)22-10-12-23(13-11-22)20(26)17-5-2-14-27-17/h2,5,14-16H,1,3-4,6-13H2
InChIKeyFMSRXZDWMARGDQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.60
Rot. Bonds3

About cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone

cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 113005207) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID113005207
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namecyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCN(C(=O)C3CCC3)CC2)CC1
InChIInChI=1S/C20H27N3O4/c24-18(15-3-1-4-15)21-8-6-16(7-9-21)19(25)22-10-12-23(13-11-22)20(26)17-5-2-14-27-17/h2,5,14-16H,1,3-4,6-13H2
InChIKeyFMSRXZDWMARGDQ-UHFFFAOYSA-N
XLogP1.60
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-tert-butyl-4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 17119108
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55603086
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone
CID 110854742
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone (CID 113005207) is cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCN(C(=O)C3CCC3)CC2)CC1.
What is the InChIKey of cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is FMSRXZDWMARGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-18(15-3-1-4-15)21-8-6-16(7-9-21)19(25)22-10-12-23(13-11-22)20(26)17-5-2-14-27-17/h2,5,14-16H,1,3-4,6-13H2.
What are the key properties of cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 373.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 113005207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).