N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide

C18H24N2O3 — CID 1444021

IUPACN-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(21)19-18(15-5-7-16(23-2)8-6-15)9-11-20(12-10-18)17(22)14-3-4-14/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyRKQKGTHGUGEPPS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.06
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide

N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide (PubChem CID 1444021) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
PubChem CID1444021
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(21)19-18(15-5-7-16(23-2)8-6-15)9-11-20(12-10-18)17(22)14-3-4-14/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyRKQKGTHGUGEPPS-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]acetamide
CID 18524608
N-[1-(4-methoxyphenyl)cyclobutyl]cyclopropanecarboxamide
CID 110478167
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide
CID 113215638
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
CID 46955109
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
3-amino-N-[1-(4-methoxyphenyl)cyclopentyl]cyclopentane-1-carboxamide
CID 119760251
cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777867
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide (CID 1444021) is N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide is COc1ccc(C2(NC(C)=O)CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
The InChIKey is RKQKGTHGUGEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)19-18(15-5-7-16(23-2)8-6-15)9-11-20(12-10-18)17(22)14-3-4-14/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 1444021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).