2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide

C19H29N3O2 — CID 142998379

IUPAC2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
SMILESC=CC(CC)NC(=O)CN1CCC(Nc2ccccc2CO)CC1
InChIInChI=1S/C19H29N3O2/c1-3-16(4-2)21-19(24)13-22-11-9-17(10-12-22)20-18-8-6-5-7-15(18)14-23/h3,5-8,16-17,20,23H,1,4,9-14H2,2H3,(H,21,24)
InChIKeySKTBFQOUBPAOQU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.14
Rot. Bonds8

About 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide

2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide (PubChem CID 142998379) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
PubChem CID142998379
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide
SMILESC=CC(CC)NC(=O)CN1CCC(Nc2ccccc2CO)CC1
InChIInChI=1S/C19H29N3O2/c1-3-16(4-2)21-19(24)13-22-11-9-17(10-12-22)20-18-8-6-5-7-15(18)14-23/h3,5-8,16-17,20,23H,1,4,9-14H2,2H3,(H,21,24)
InChIKeySKTBFQOUBPAOQU-UHFFFAOYSA-N
XLogP2.14
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11525126
2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide
CID 43692190
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
2-[2-[(1-propylpiperidin-4-yl)amino]phenyl]acetamide
CID 43738460
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11634049
2-[4-(2,3-dimethylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43765633
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 91584812
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide?
The IUPAC name of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide (CID 142998379) is 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide.
What is the SMILES notation for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide?
The canonical SMILES for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide is C=CC(CC)NC(=O)CN1CCC(Nc2ccccc2CO)CC1.
What is the InChIKey of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide?
The InChIKey is SKTBFQOUBPAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-16(4-2)21-19(24)13-22-11-9-17(10-12-22)20-18-8-6-5-7-15(18)14-23/h3,5-8,16-17,20,23H,1,4,9-14H2,2H3,(H,21,24).
What are the key properties of 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide?
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-pent-1-en-3-ylacetamide is sourced from PubChem (CID 142998379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).