4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide

C19H31N3O2 — CID 111123444

IUPAC4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
SMILESCC(NC(C)(C)CNC(=O)N1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-15(17-7-5-4-6-8-17)21-19(2,3)14-20-18(24)22-11-9-16(13-23)10-12-22/h4-8,15-16,21,23H,9-14H2,1-3H3,(H,20,24)
InChIKeyLVRKHFORQBDWOF-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.53
Rot. Bonds6

About 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide (PubChem CID 111123444) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
PubChem CID111123444
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
SMILESCC(NC(C)(C)CNC(=O)N1CCC(CO)CC1)c1ccccc1
InChIInChI=1S/C19H31N3O2/c1-15(17-7-5-4-6-8-17)21-19(2,3)14-20-18(24)22-11-9-16(13-23)10-12-22/h4-8,15-16,21,23H,9-14H2,1-3H3,(H,20,24)
InChIKeyLVRKHFORQBDWOF-UHFFFAOYSA-N
XLogP2.53
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide 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

4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111176017
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 109380455
1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111111884
N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110922372
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 95153761

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide (CID 111123444) is 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide is CC(NC(C)(C)CNC(=O)N1CCC(CO)CC1)c1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide?
The InChIKey is LVRKHFORQBDWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(17-7-5-4-6-8-17)21-19(2,3)14-20-18(24)22-11-9-16(13-23)10-12-22/h4-8,15-16,21,23H,9-14H2,1-3H3,(H,20,24).
What are the key properties of 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 111123444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).