N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

C18H27N3O2 — CID 94631561

IUPACN-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESC[C@H](NC(=O)CNc1ccccc1N1CCC(O)CC1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-13(14-6-7-14)20-18(23)12-19-16-4-2-3-5-17(16)21-10-8-15(22)9-11-21/h2-5,13-15,19,22H,6-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyBZRUWBOGBSZLFN-ZDUSSCGKSA-N
MW317.43 g/mol
LogP1.97
Rot. Bonds6

About N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide

N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (PubChem CID 94631561) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
PubChem CID94631561
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
SMILESC[C@H](NC(=O)CNc1ccccc1N1CCC(O)CC1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-13(14-6-7-14)20-18(23)12-19-16-4-2-3-5-17(16)21-10-8-15(22)9-11-21/h2-5,13-15,19,22H,6-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyBZRUWBOGBSZLFN-ZDUSSCGKSA-N
XLogP1.97
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide (CID 94631561) is N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is C[C@H](NC(=O)CNc1ccccc1N1CCC(O)CC1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
The InChIKey is BZRUWBOGBSZLFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(14-6-7-14)20-18(23)12-19-16-4-2-3-5-17(16)21-10-8-15(22)9-11-21/h2-5,13-15,19,22H,6-12H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide?
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 94631561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).