N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

C21H27N3O3 — CID 49411897

IUPACN-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CN(C)Cc3ccccc3)CC2)o1
InChIInChI=1S/C21H27N3O3/c1-16-8-9-19(27-16)21(26)22-18-10-12-24(13-11-18)20(25)15-23(2)14-17-6-4-3-5-7-17/h3-9,18H,10-15H2,1-2H3,(H,22,26)
InChIKeyLXHBGIIBMSLKTD-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.44
Rot. Bonds6

About N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 49411897) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
PubChem CID49411897
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)CN(C)Cc3ccccc3)CC2)o1
InChIInChI=1S/C21H27N3O3/c1-16-8-9-19(27-16)21(26)22-18-10-12-24(13-11-18)20(25)15-23(2)14-17-6-4-3-5-7-17/h3-9,18H,10-15H2,1-2H3,(H,22,26)
InChIKeyLXHBGIIBMSLKTD-UHFFFAOYSA-N
XLogP2.44
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358563
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 75464077
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 97315817
5-methyl-N-[1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 49358427
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
ethyl 4-[[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111078737
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
2-[benzyl(methyl)amino]-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]ethanone
CID 86936566

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (CID 49411897) is N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)CN(C)Cc3ccccc3)CC2)o1.
What is the InChIKey of N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is LXHBGIIBMSLKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-8-9-19(27-16)21(26)22-18-10-12-24(13-11-18)20(25)15-23(2)14-17-6-4-3-5-7-17/h3-9,18H,10-15H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 49411897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).