N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide

C13H21N3O2 — CID 62671401

IUPACN-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
SMILESCC1CNCCN1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H21N3O2/c1-10-8-14-5-6-16(10)11(2)13(17)15-9-12-4-3-7-18-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyYCNQUVHDYNCFTB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide

N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide (PubChem CID 62671401) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
PubChem CID62671401
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
SMILESCC1CNCCN1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C13H21N3O2/c1-10-8-14-5-6-16(10)11(2)13(17)15-9-12-4-3-7-18-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyYCNQUVHDYNCFTB-UHFFFAOYSA-N
XLogP0.58
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81219393
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
N-(furan-2-ylmethyl)-2-piperidin-3-yloxypropanamide
CID 43117610
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
2-[azetidin-3-yl(propyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 66214705
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
N-(furan-2-ylmethyl)-2-[(6-methylmorpholin-2-yl)methoxy]propanamide
CID 102633959
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide (CID 62671401) is N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide is CC1CNCCN1C(C)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide?
The InChIKey is YCNQUVHDYNCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-8-14-5-6-16(10)11(2)13(17)15-9-12-4-3-7-18-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide?
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 62671401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).