N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide

C25H34N2O3 — CID 56552060

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
SMILESCc1cccc(OCCCCC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1
InChIInChI=1S/C25H34N2O3/c1-20-5-4-6-24(17-20)30-16-3-2-7-25(29)26-18-21-8-10-22(11-9-21)19-27-14-12-23(28)13-15-27/h4-6,8-11,17,23,28H,2-3,7,12-16,18-19H2,1H3,(H,26,29)
InChIKeyHYAHOGLNBGSVMV-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.82
Rot. Bonds10

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide (PubChem CID 56552060) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
PubChem CID56552060
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
SMILESCc1cccc(OCCCCC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1
InChIInChI=1S/C25H34N2O3/c1-20-5-4-6-24(17-20)30-16-3-2-7-25(29)26-18-21-8-10-22(11-9-21)19-27-14-12-23(28)13-15-27/h4-6,8-11,17,23,28H,2-3,7,12-16,18-19H2,1H3,(H,26,29)
InChIKeyHYAHOGLNBGSVMV-UHFFFAOYSA-N
XLogP3.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 24584159
N-[3-[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56555372
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366
N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 25368960
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide (CID 56552060) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide is Cc1cccc(OCCCCC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide?
The InChIKey is HYAHOGLNBGSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-20-5-4-6-24(17-20)30-16-3-2-7-25(29)26-18-21-8-10-22(11-9-21)19-27-14-12-23(28)13-15-27/h4-6,8-11,17,23,28H,2-3,7,12-16,18-19H2,1H3,(H,26,29).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide has a molecular weight of 410.56 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide is sourced from PubChem (CID 56552060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).