cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate

C22H32N2O4 — CID 155874867

IUPACcyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)N2CCCCC2C2CCN(C(=O)OC3CCCC3)CC2)o1
InChIInChI=1S/C22H32N2O4/c1-16-9-10-20(27-16)21(25)24-13-5-4-8-19(24)17-11-14-23(15-12-17)22(26)28-18-6-2-3-7-18/h9-10,17-19H,2-8,11-15H2,1H3
InChIKeyFDJTYYNODAFVLH-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.37
Rot. Bonds3

About cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate

cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate (PubChem CID 155874867) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate
PubChem CID155874867
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Namecyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate
SMILESCc1ccc(C(=O)N2CCCCC2C2CCN(C(=O)OC3CCCC3)CC2)o1
InChIInChI=1S/C22H32N2O4/c1-16-9-10-20(27-16)21(25)24-13-5-4-8-19(24)17-11-14-23(15-12-17)22(26)28-18-6-2-3-7-18/h9-10,17-19H,2-8,11-15H2,1H3
InChIKeyFDJTYYNODAFVLH-UHFFFAOYSA-N
XLogP4.37
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl-(5-methylfuran-2-yl)methanone
CID 68602478
5-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574551
5-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574550
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
[(3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(5-methylfuran-2-yl)methanone
CID 155870511
5-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl]furan-2-carboxylic acid
CID 124574603
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
(3-methoxypyrrolidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 108730619

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate (CID 155874867) is cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate is Cc1ccc(C(=O)N2CCCCC2C2CCN(C(=O)OC3CCCC3)CC2)o1.
What is the InChIKey of cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate?
The InChIKey is FDJTYYNODAFVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-16-9-10-20(27-16)21(25)24-13-5-4-8-19(24)17-11-14-23(15-12-17)22(26)28-18-6-2-3-7-18/h9-10,17-19H,2-8,11-15H2,1H3.
What are the key properties of cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate?
cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[1-(5-methylfuran-2-carbonyl)piperidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155874867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).