2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide

C19H31N3O — CID 119932780

IUPAC2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(C(C)C)c1)C1CCNCC1
InChIInChI=1S/C19H31N3O/c1-4-12-22(18-8-10-20-11-9-18)14-19(23)21-17-7-5-6-16(13-17)15(2)3/h5-7,13,15,18,20H,4,8-12,14H2,1-3H3,(H,21,23)
InChIKeyWOMMXDWHPUFMAQ-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.21
Rot. Bonds7

About 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide

2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 119932780) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID119932780
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(C(C)C)c1)C1CCNCC1
InChIInChI=1S/C19H31N3O/c1-4-12-22(18-8-10-20-11-9-18)14-19(23)21-17-7-5-6-16(13-17)15(2)3/h5-7,13,15,18,20H,4,8-12,14H2,1-3H3,(H,21,23)
InChIKeyWOMMXDWHPUFMAQ-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119912537
N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933122
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921602

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide (CID 119932780) is 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide is CCCN(CC(=O)Nc1cccc(C(C)C)c1)C1CCNCC1.
What is the InChIKey of 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is WOMMXDWHPUFMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-12-22(18-8-10-20-11-9-18)14-19(23)21-17-7-5-6-16(13-17)15(2)3/h5-7,13,15,18,20H,4,8-12,14H2,1-3H3,(H,21,23).
What are the key properties of 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide?
2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 317.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 119932780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).