4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide

C19H31N3O3 — CID 111438592

IUPAC4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(CNC(=O)N2CCC(C(C)O)CC2)N2CCCC2)o1
InChIInChI=1S/C19H31N3O3/c1-14-5-6-18(25-14)17(21-9-3-4-10-21)13-20-19(24)22-11-7-16(8-12-22)15(2)23/h5-6,15-17,23H,3-4,7-13H2,1-2H3,(H,20,24)
InChIKeyAHJIERFIPIAMNN-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.53
Rot. Bonds5

About 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide (PubChem CID 111438592) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide
PubChem CID111438592
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(CNC(=O)N2CCC(C(C)O)CC2)N2CCCC2)o1
InChIInChI=1S/C19H31N3O3/c1-14-5-6-18(25-14)17(21-9-3-4-10-21)13-20-19(24)22-11-7-16(8-12-22)15(2)23/h5-6,15-17,23H,3-4,7-13H2,1-2H3,(H,20,24)
InChIKeyAHJIERFIPIAMNN-UHFFFAOYSA-N
XLogP2.53
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperazine-1-carboxamide
CID 97071232
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71880457
3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 75419402
4-(cyclohexylmethyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 55911635
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119873717
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide (CID 111438592) is 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide is Cc1ccc(C(CNC(=O)N2CCC(C(C)O)CC2)N2CCCC2)o1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide?
The InChIKey is AHJIERFIPIAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-5-6-18(25-14)17(21-9-3-4-10-21)13-20-19(24)22-11-7-16(8-12-22)15(2)23/h5-6,15-17,23H,3-4,7-13H2,1-2H3,(H,20,24).
What are the key properties of 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 111438592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).