N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide

C27H30N4O2 — CID 24985386

IUPACN-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(Nc4ccccc4O)CC3)ccc21
InChIInChI=1S/C27H30N4O2/c1-2-31-24-9-5-3-7-21(24)22-17-20(11-12-25(22)31)29-27(33)18-30-15-13-19(14-16-30)28-23-8-4-6-10-26(23)32/h3-12,17,19,28,32H,2,13-16,18H2,1H3,(H,29,33)
InChIKeyKRFLREVGGYUVFB-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.03
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide

N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide (PubChem CID 24985386) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
PubChem CID24985386
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN3CCC(Nc4ccccc4O)CC3)ccc21
InChIInChI=1S/C27H30N4O2/c1-2-31-24-9-5-3-7-21(24)22-17-20(11-12-25(22)31)29-27(33)18-30-15-13-19(14-16-30)28-23-8-4-6-10-26(23)32/h3-12,17,19,28,32H,2,13-16,18H2,1H3,(H,29,33)
InChIKeyKRFLREVGGYUVFB-UHFFFAOYSA-N
XLogP5.03
TPSA69.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 24985384
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
3-[4-(dimethylamino)piperidin-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458844
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 22458822
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 98232040
N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
CID 91064580
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide (CID 24985386) is N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide is CCn1c2ccccc2c2cc(NC(=O)CN3CCC(Nc4ccccc4O)CC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide?
The InChIKey is KRFLREVGGYUVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-2-31-24-9-5-3-7-21(24)22-17-20(11-12-25(22)31)29-27(33)18-30-15-13-19(14-16-30)28-23-8-4-6-10-26(23)32/h3-12,17,19,28,32H,2,13-16,18H2,1H3,(H,29,33).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide?
N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide is sourced from PubChem (CID 24985386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).