N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide

C21H29N3O3 — CID 46221936

IUPACN-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCC(C)n1cc(C(=O)C(=O)NC2CCN(CCCO)CC2)c2ccccc21
InChIInChI=1S/C21H29N3O3/c1-15(2)24-14-18(17-6-3-4-7-19(17)24)20(26)21(27)22-16-8-11-23(12-9-16)10-5-13-25/h3-4,6-7,14-16,25H,5,8-13H2,1-2H3,(H,22,27)
InChIKeyVUPBRCZKRCTJFH-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.37
Rot. Bonds7

About N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide

N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide (PubChem CID 46221936) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
PubChem CID46221936
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCC(C)n1cc(C(=O)C(=O)NC2CCN(CCCO)CC2)c2ccccc21
InChIInChI=1S/C21H29N3O3/c1-15(2)24-14-18(17-6-3-4-7-19(17)24)20(26)21(27)22-16-8-11-23(12-9-16)10-5-13-25/h3-4,6-7,14-16,25H,5,8-13H2,1-2H3,(H,22,27)
InChIKeyVUPBRCZKRCTJFH-UHFFFAOYSA-N
XLogP2.37
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide
CID 46223745
tert-butyl 4-[[2-oxo-2-(1-propan-2-ylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 59438573
2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
CID 66739507
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
CID 90300339
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
CID 97266405
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
N-[1-[3-(3-acetylindol-1-yl)propyl]pyrrolidin-3-yl]acetamide
CID 69451477
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
CID 154671313

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
The IUPAC name of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide (CID 46221936) is N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide is CC(C)n1cc(C(=O)C(=O)NC2CCN(CCCO)CC2)c2ccccc21.
What is the InChIKey of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
The InChIKey is VUPBRCZKRCTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(2)24-14-18(17-6-3-4-7-19(17)24)20(26)21(27)22-16-8-11-23(12-9-16)10-5-13-25/h3-4,6-7,14-16,25H,5,8-13H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide?
N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-oxo-2-(1-propan-2-ylindol-3-yl)acetamide is sourced from PubChem (CID 46221936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).