2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide

C16H24N4O3 — CID 72858036

IUPAC2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)NCC2CCNCC2)c1
InChIInChI=1S/C16H24N4O3/c1-23-11-15(21)19-13-3-2-4-14(9-13)20-16(22)18-10-12-5-7-17-8-6-12/h2-4,9,12,17H,5-8,10-11H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyNSYWEXICVTZBKF-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.39
Rot. Bonds6

About 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide

2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide (PubChem CID 72858036) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide
PubChem CID72858036
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)NCC2CCNCC2)c1
InChIInChI=1S/C16H24N4O3/c1-23-11-15(21)19-13-3-2-4-14(9-13)20-16(22)18-10-12-5-7-17-8-6-12/h2-4,9,12,17H,5-8,10-11H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyNSYWEXICVTZBKF-UHFFFAOYSA-N
XLogP1.39
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
1-(3-fluoro-4-methylphenyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 165429682
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
2-methoxy-N-[3-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]phenyl]acetamide
CID 51118680
2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
CID 166237669

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide (CID 72858036) is 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide is COCC(=O)Nc1cccc(NC(=O)NCC2CCNCC2)c1.
What is the InChIKey of 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide?
The InChIKey is NSYWEXICVTZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-11-15(21)19-13-3-2-4-14(9-13)20-16(22)18-10-12-5-7-17-8-6-12/h2-4,9,12,17H,5-8,10-11H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide?
2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 72858036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).