N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide

C18H29N3O3 — CID 60522745

IUPACN-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(Cc2ccc(C)o2)C(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-13(2)21(11-17-6-5-14(3)24-17)12-18(23)19-16-7-9-20(10-8-16)15(4)22/h5-6,13,16H,7-12H2,1-4H3,(H,19,23)
InChIKeyWVMUIBNGTOOXNL-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.93
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide

N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 60522745) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide
PubChem CID60522745
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(=O)N1CCC(NC(=O)CN(Cc2ccc(C)o2)C(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-13(2)21(11-17-6-5-14(3)24-17)12-18(23)19-16-7-9-20(10-8-16)15(4)22/h5-6,13,16H,7-12H2,1-4H3,(H,19,23)
InChIKeyWVMUIBNGTOOXNL-UHFFFAOYSA-N
XLogP1.93
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
CID 51107106
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 47294325
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
1-(1-acetylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908125
2-[butan-2-yl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 60833890
N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
CID 60523581
N-(1-acetylpiperidin-4-yl)-2-[cyclopropyl-[(2R,3S)-3-methylpentan-2-yl]amino]acetamide
CID 95153800
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide (CID 60522745) is N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide is CC(=O)N1CCC(NC(=O)CN(Cc2ccc(C)o2)C(C)C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is WVMUIBNGTOOXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)21(11-17-6-5-14(3)24-17)12-18(23)19-16-7-9-20(10-8-16)15(4)22/h5-6,13,16H,7-12H2,1-4H3,(H,19,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 60522745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).