N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide

C19H31N3O2 — CID 110908399

IUPACN-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)21(3)13-19(24)20-12-16-4-6-18(7-5-16)22-10-8-17(14-23)9-11-22/h4-7,15,17,23H,8-14H2,1-3H3,(H,20,24)
InChIKeyOOYDQZRXKLICHJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.85
Rot. Bonds7

About N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 110908399) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID110908399
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)21(3)13-19(24)20-12-16-4-6-18(7-5-16)22-10-8-17(14-23)9-11-22/h4-7,15,17,23H,8-14H2,1-3H3,(H,20,24)
InChIKeyOOYDQZRXKLICHJ-UHFFFAOYSA-N
XLogP1.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide
CID 110905358
1-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-3-pentylurea
CID 110901067
2-[methyl-[(2R)-4-methylsulfanylbutan-2-yl]amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 95773149
cis-(1S,3R)-3-hydroxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]cyclohexane-1-carboxamide
CID 99789288
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]butane-1-sulfonamide
CID 56806564
(2S)-2-[4-[4-(hydroxymethyl)piperidin-1-yl]anilino]propanoic acid
CID 67550722
[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 70730789
1-(3-bromo-4-methylphenyl)-3-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]urea
CID 78892734
methyl 2-[[1-[4-[2-(benzylamino)-2-oxoethyl]phenyl]piperidin-4-yl]-methylamino]acetate
CID 126464692
tert-butyl (2S)-2-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-2-methylpyrrolidine-1-carboxylate
CID 97090553
[1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 111436552

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 110908399) is N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1.
What is the InChIKey of N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is OOYDQZRXKLICHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)21(3)13-19(24)20-12-16-4-6-18(7-5-16)22-10-8-17(14-23)9-11-22/h4-7,15,17,23H,8-14H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 110908399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).