2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide

C16H25N3O2 — CID 60802291

IUPAC2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
SMILESCc1cccc(OCCN(CC(N)=O)C2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-13-3-2-4-15(11-13)21-10-9-19(12-16(17)20)14-5-7-18-8-6-14/h2-4,11,14,18H,5-10,12H2,1H3,(H2,17,20)
InChIKeyPNXYXZZOJNHIRE-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.91
Rot. Bonds7

About 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide

2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide (PubChem CID 60802291) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
PubChem CID60802291
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
SMILESCc1cccc(OCCN(CC(N)=O)C2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-13-3-2-4-15(11-13)21-10-9-19(12-16(17)20)14-5-7-18-8-6-14/h2-4,11,14,18H,5-10,12H2,1H3,(H2,17,20)
InChIKeyPNXYXZZOJNHIRE-UHFFFAOYSA-N
XLogP0.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide (CID 60802291) is 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide is Cc1cccc(OCCN(CC(N)=O)C2CCNCC2)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide?
The InChIKey is PNXYXZZOJNHIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-3-2-4-15(11-13)21-10-9-19(12-16(17)20)14-5-7-18-8-6-14/h2-4,11,14,18H,5-10,12H2,1H3,(H2,17,20).
What are the key properties of 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide?
2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60802291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).