N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide

C19H28N2O3 — CID 110822925

IUPACN-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-4-8-18(22)20-16-9-11-21(12-10-16)19(23)14-24-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,20,22)
InChIKeyFBCJDINHMHZXNW-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.67
Rot. Bonds7

About N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide

N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide (PubChem CID 110822925) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
PubChem CID110822925
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-4-8-18(22)20-16-9-11-21(12-10-16)19(23)14-24-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,20,22)
InChIKeyFBCJDINHMHZXNW-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide (CID 110822925) is N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide?
The InChIKey is FBCJDINHMHZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-4-8-18(22)20-16-9-11-21(12-10-16)19(23)14-24-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,20,22).
What are the key properties of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide?
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide has a molecular weight of 332.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 110822925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).