1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide

C18H28N2O3 — CID 42780033

IUPAC1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCN(C(=O)c2ccoc2C)C1
InChIInChI=1S/C18H28N2O3/c1-4-9-19(10-5-2)17(21)15-7-6-11-20(13-15)18(22)16-8-12-23-14(16)3/h8,12,15H,4-7,9-11,13H2,1-3H3
InChIKeyOFTPFCVJMJWFIZ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.09
Rot. Bonds6

About 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide

1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 42780033) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
PubChem CID42780033
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCN(C(=O)c2ccoc2C)C1
InChIInChI=1S/C18H28N2O3/c1-4-9-19(10-5-2)17(21)15-7-6-11-20(13-15)18(22)16-8-12-23-14(16)3/h8,12,15H,4-7,9-11,13H2,1-3H3
InChIKeyOFTPFCVJMJWFIZ-UHFFFAOYSA-N
XLogP3.09
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 4684165
tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 52511320
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 1030627
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4615764
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide (CID 42780033) is 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)C1CCCN(C(=O)c2ccoc2C)C1.
What is the InChIKey of 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is OFTPFCVJMJWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-9-19(10-5-2)17(21)15-7-6-11-20(13-15)18(22)16-8-12-23-14(16)3/h8,12,15H,4-7,9-11,13H2,1-3H3.
What are the key properties of 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide?
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 42780033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).