1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide

C21H33N3O3 — CID 55605802

IUPAC1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)20(26)24-13-7-9-16(24)19(25)22-15-17(18-10-8-14-27-18)23-11-5-4-6-12-23/h8,10,14,16-17H,4-7,9,11-13,15H2,1-3H3,(H,22,25)
InChIKeySOKBDMSIKQECCT-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.96
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide

1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 55605802) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
PubChem CID55605802
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)20(26)24-13-7-9-16(24)19(25)22-15-17(18-10-8-14-27-18)23-11-5-4-6-12-23/h8,10,14,16-17H,4-7,9,11-13,15H2,1-3H3,(H,22,25)
InChIKeySOKBDMSIKQECCT-UHFFFAOYSA-N
XLogP2.96
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 51085663
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138828
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-2-phenylpropanamide
CID 37171547
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-propanoylpiperidine-2-carboxamide
CID 110906621

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide (CID 55605802) is 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is SOKBDMSIKQECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-21(2,3)20(26)24-13-7-9-16(24)19(25)22-15-17(18-10-8-14-27-18)23-11-5-4-6-12-23/h8,10,14,16-17H,4-7,9,11-13,15H2,1-3H3,(H,22,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55605802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).