4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide

C17H26N4O3 — CID 94164797

IUPAC4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C17H26N4O3/c18-17(23)21-9-5-13(6-10-21)16(22)19-12-14(15-4-3-11-24-15)20-7-1-2-8-20/h3-4,11,13-14H,1-2,5-10,12H2,(H2,18,23)(H,19,22)/t14-/m0/s1
InChIKeyXLNFQUMSMHLQPE-AWEZNQCLSA-N
MW334.42 g/mol
LogP1.32
Rot. Bonds5

About 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide

4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide (PubChem CID 94164797) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
PubChem CID94164797
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C17H26N4O3/c18-17(23)21-9-5-13(6-10-21)16(22)19-12-14(15-4-3-11-24-15)20-7-1-2-8-20/h3-4,11,13-14H,1-2,5-10,12H2,(H2,18,23)(H,19,22)/t14-/m0/s1
InChIKeyXLNFQUMSMHLQPE-AWEZNQCLSA-N
XLogP1.32
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652
1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41023335
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 134057186
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94152825
(3R)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165357
(3R)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxopiperidine-3-carboxamide
CID 94165356
1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95130212
(3S)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933493
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide (CID 94164797) is 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide is NC(=O)N1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1.
What is the InChIKey of 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide?
The InChIKey is XLNFQUMSMHLQPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-17(23)21-9-5-13(6-10-21)16(22)19-12-14(15-4-3-11-24-15)20-7-1-2-8-20/h3-4,11,13-14H,1-2,5-10,12H2,(H2,18,23)(H,19,22)/t14-/m0/s1.
What are the key properties of 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide?
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 94164797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).