2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide

C17H26N2O2 — CID 79702214

IUPAC2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C17H26N2O2/c1-2-10-19(13-14-6-8-18-9-7-14)17(21)12-15-4-3-5-16(20)11-15/h3-5,11,14,18,20H,2,6-10,12-13H2,1H3
InChIKeyDNODHXOSILJOQD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.17
Rot. Bonds6

About 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide

2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide (PubChem CID 79702214) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
PubChem CID79702214
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCNCC1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C17H26N2O2/c1-2-10-19(13-14-6-8-18-9-7-14)17(21)12-15-4-3-5-16(20)11-15/h3-5,11,14,18,20H,2,6-10,12-13H2,1H3
InChIKeyDNODHXOSILJOQD-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
2-(2-methylphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702981
3-phenyl-N-(piperidin-4-ylmethyl)-N-propylpropanamide
CID 79701291
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide (CID 79702214) is 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide is CCCN(CC1CCNCC1)C(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
The InChIKey is DNODHXOSILJOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-10-19(13-14-6-8-18-9-7-14)17(21)12-15-4-3-5-16(20)11-15/h3-5,11,14,18,20H,2,6-10,12-13H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide?
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 79702214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).