N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide

C20H30N2O3 — CID 111113849

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCC(C(C)O)CC2)C2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-14(23)15-9-11-22(12-10-15)13-19(24)21-20(16-3-4-16)17-5-7-18(25-2)8-6-17/h5-8,14-16,20,23H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyRCFMGDLSAGBHDG-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.36
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 111113849) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID111113849
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCC(C(C)O)CC2)C2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-14(23)15-9-11-22(12-10-15)13-19(24)21-20(16-3-4-16)17-5-7-18(25-2)8-6-17/h5-8,14-16,20,23H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyRCFMGDLSAGBHDG-UHFFFAOYSA-N
XLogP2.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906984
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120775947
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 86984171
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877589
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide (CID 111113849) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide is COc1ccc(C(NC(=O)CN2CCC(C(C)O)CC2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is RCFMGDLSAGBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(23)15-9-11-22(12-10-15)13-19(24)21-20(16-3-4-16)17-5-7-18(25-2)8-6-17/h5-8,14-16,20,23H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 111113849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).