N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

C24H40N4O4 — CID 171154222

IUPACN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)C1CC(O)CN1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C24H40N4O4/c1-25(2)11-12-27(18-22-4-3-13-32-22)24(30)23-16-21(29)17-28(23)20-5-9-26(10-6-20)19-7-14-31-15-8-19/h3-4,13,19-21,23,29H,5-12,14-18H2,1-2H3
InChIKeyOENMIFYNXXDUGK-UHFFFAOYSA-N
MW448.61 g/mol
LogP1.25
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 171154222) has the molecular formula C24H40N4O4 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID171154222
Molecular FormulaC24H40N4O4
Molecular Weight448.61 g/mol
Exact Mass448.30
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)C1CC(O)CN1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C24H40N4O4/c1-25(2)11-12-27(18-22-4-3-13-32-22)24(30)23-16-21(29)17-28(23)20-5-9-26(10-6-20)19-7-14-31-15-8-19/h3-4,13,19-21,23,29H,5-12,14-18H2,1-2H3
InChIKeyOENMIFYNXXDUGK-UHFFFAOYSA-N
XLogP1.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155880491
N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74234608
(2S,4R)-4-hydroxy-N-methyl-1-[1-(oxan-4-yl)piperidin-4-yl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 163336060
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 167883532
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72840620
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
(2S,4R)-N-[2-[benzyl(ethyl)amino]ethyl]-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155880507
(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 67774938
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
1-[ethyl(furan-2-ylmethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383673

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 171154222) is N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is CN(C)CCN(Cc1ccco1)C(=O)C1CC(O)CN1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is OENMIFYNXXDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4/c1-25(2)11-12-27(18-22-4-3-13-32-22)24(30)23-16-21(29)17-28(23)20-5-9-26(10-6-20)19-7-14-31-15-8-19/h3-4,13,19-21,23,29H,5-12,14-18H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 171154222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).