2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide

C18H28N2O3 — CID 110891645

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)N1CCC(CO)CC1
InChIInChI=1S/C18H28N2O3/c1-13(16-6-4-5-7-17(16)23-3)19-18(22)14(2)20-10-8-15(12-21)9-11-20/h4-7,13-15,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyDZYMARAIIZACEI-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 110891645) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID110891645
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)N1CCC(CO)CC1
InChIInChI=1S/C18H28N2O3/c1-13(16-6-4-5-7-17(16)23-3)19-18(22)14(2)20-10-8-15(12-21)9-11-20/h4-7,13-15,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyDZYMARAIIZACEI-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 86918659
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 134038219
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907878
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide (CID 110891645) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1C(C)NC(=O)C(C)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is DZYMARAIIZACEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(16-6-4-5-7-17(16)23-3)19-18(22)14(2)20-10-8-15(12-21)9-11-20/h4-7,13-15,21H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 320.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110891645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).