[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone

C12H17NO3 — CID 43403302

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(CO)C2)o1
InChIInChI=1S/C12H17NO3/c1-9-4-5-11(16-9)12(15)13-6-2-3-10(7-13)8-14/h4-5,10,14H,2-3,6-8H2,1H3
InChIKeyTYULYZKVMPRXBK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.43
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 43403302) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID43403302
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(CO)C2)o1
InChIInChI=1S/C12H17NO3/c1-9-4-5-11(16-9)12(15)13-6-2-3-10(7-13)8-14/h4-5,10,14H,2-3,6-8H2,1H3
InChIKeyTYULYZKVMPRXBK-UHFFFAOYSA-N
XLogP1.43
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
(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
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
2-[1-(furan-2-yl)-N-methylformamido]acetic acid
CID 784792
ST50925815
CID 1203008
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
N-(cyclohexylmethyl)furan-2-carboxamide
CID 1245006
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylfuran-2-yl)-methanone
CID 11602209

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone (CID 43403302) is [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCCC(CO)C2)o1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is TYULYZKVMPRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-5-11(16-9)12(15)13-6-2-3-10(7-13)8-14/h4-5,10,14H,2-3,6-8H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 223.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43403302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).