2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide

C27H30N4O2 — CID 11554039

IUPAC2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
SMILESCn1c2ccccc2c2cc(NC(=O)CN3CCC(Nc4ccccc4CO)CC3)ccc21
InChIInChI=1S/C27H30N4O2/c1-30-25-9-5-3-7-22(25)23-16-21(10-11-26(23)30)29-27(33)17-31-14-12-20(13-15-31)28-24-8-4-2-6-19(24)18-32/h2-11,16,20,28,32H,12-15,17-18H2,1H3,(H,29,33)
InChIKeyGTMNDZUJRCXFCM-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide

2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide (PubChem CID 11554039) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
PubChem CID11554039
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
SMILESCn1c2ccccc2c2cc(NC(=O)CN3CCC(Nc4ccccc4CO)CC3)ccc21
InChIInChI=1S/C27H30N4O2/c1-30-25-9-5-3-7-22(25)23-16-21(10-11-26(23)30)29-27(33)17-31-14-12-20(13-15-31)28-24-8-4-2-6-19(24)18-32/h2-11,16,20,28,32H,12-15,17-18H2,1H3,(H,29,33)
InChIKeyGTMNDZUJRCXFCM-UHFFFAOYSA-N
XLogP4.34
TPSA69.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-[4-(2-hydroxyanilino)piperidin-1-yl]acetamide
CID 24985386
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11525126
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
CID 142998379
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11634049
2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 11668562
2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 24985384
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
3-[4-(dimethylamino)piperidin-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458844

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide?
The IUPAC name of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide (CID 11554039) is 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide is Cn1c2ccccc2c2cc(NC(=O)CN3CCC(Nc4ccccc4CO)CC3)ccc21.
What is the InChIKey of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide?
The InChIKey is GTMNDZUJRCXFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-30-25-9-5-3-7-22(25)23-16-21(10-11-26(23)30)29-27(33)17-31-14-12-20(13-15-31)28-24-8-4-2-6-19(24)18-32/h2-11,16,20,28,32H,12-15,17-18H2,1H3,(H,29,33).
What are the key properties of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide?
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide is sourced from PubChem (CID 11554039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).