1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C20H30N2O3 — CID 24817838

IUPAC1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCC(=O)N(CC3CCCCC3)C2)o1
InChIInChI=1S/C20H30N2O3/c1-15-8-10-18(25-15)14-21(2)20(24)17-9-11-19(23)22(13-17)12-16-6-4-3-5-7-16/h8,10,16-17H,3-7,9,11-14H2,1-2H3
InChIKeyXJOKJTPHTPBOFX-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.37
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24817838) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24817838
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCC(=O)N(CC3CCCCC3)C2)o1
InChIInChI=1S/C20H30N2O3/c1-15-8-10-18(25-15)14-21(2)20(24)17-9-11-19(23)22(13-17)12-16-6-4-3-5-7-16/h8,10,16-17H,3-7,9,11-14H2,1-2H3
InChIKeyXJOKJTPHTPBOFX-UHFFFAOYSA-N
XLogP3.37
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
CID 71769926
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872
1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 6223967
[4-(1-Adamantyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 6469386
(E)-3-(2-ethoxyphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9509480
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,3,5-trimethyl-2-furamide
CID 24817851
(2E)-3-(5-{[benzyl(ethyl)amino]methyl}furan-2-yl)-N-hydroxyprop-2-enamide
CID 71769925
2-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489821
Furan-2-yl[4-(4-methylbenzyl)piperazin-1-yl]methanone
CID 780086

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24817838) is 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CN(C)C(=O)C2CCC(=O)N(CC3CCCCC3)C2)o1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XJOKJTPHTPBOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-8-10-18(25-15)14-21(2)20(24)17-9-11-19(23)22(13-17)12-16-6-4-3-5-7-16/h8,10,16-17H,3-7,9,11-14H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).