2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide

C18H26Cl2N4O3 — CID 86884721

IUPAC2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N4O3/c19-15-3-2-13(10-16(15)20)11-24(6-1-9-25)18(27)22-14-4-7-23(8-5-14)12-17(21)26/h2-3,10,14,25H,1,4-9,11-12H2,(H2,21,26)(H,22,27)
InChIKeyXXIYBUZULRRUJO-UHFFFAOYSA-N
MW417.34 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide

2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide (PubChem CID 86884721) has the molecular formula C18H26Cl2N4O3 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide
PubChem CID86884721
Molecular FormulaC18H26Cl2N4O3
Molecular Weight417.34 g/mol
Exact Mass416.14
IUPAC Name2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N4O3/c19-15-3-2-13(10-16(15)20)11-24(6-1-9-25)18(27)22-14-4-7-23(8-5-14)12-17(21)26/h2-3,10,14,25H,1,4-9,11-12H2,(H2,21,26)(H,22,27)
InChIKeyXXIYBUZULRRUJO-UHFFFAOYSA-N
XLogP1.84
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3,4-dichlorophenyl)methyl]-N-(3-hydroxypropyl)acetamide
CID 98234498
1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-(3-hydroxypropyl)urea
CID 136524530
2-[4-[(4-bromo-3-chlorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103581535
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 51084112
1-[(3,4-dichlorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)-1-(3-hydroxypropyl)urea
CID 47076618
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-methoxyphenyl)urea
CID 47815544
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-nitrophenyl)urea
CID 47815545
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide (CID 86884721) is 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide?
The InChIKey is XXIYBUZULRRUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N4O3/c19-15-3-2-13(10-16(15)20)11-24(6-1-9-25)18(27)22-14-4-7-23(8-5-14)12-17(21)26/h2-3,10,14,25H,1,4-9,11-12H2,(H2,21,26)(H,22,27).
What are the key properties of 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide?
2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide has a molecular weight of 417.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)carbamoyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 86884721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).