3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide

C19H31N3O2 — CID 110896024

IUPAC3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C19H31N3O2/c1-15(2)21(3)13-18-9-5-4-8-17(18)11-20-19(24)22-10-6-7-16(12-22)14-23/h4-5,8-9,15-16,23H,6-7,10-14H2,1-3H3,(H,20,24)
InChIKeyBEILEUHMDKSXSL-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.44
Rot. Bonds6

About 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 110896024) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID110896024
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C19H31N3O2/c1-15(2)21(3)13-18-9-5-4-8-17(18)11-20-19(24)22-10-6-7-16(12-22)14-23/h4-5,8-9,15-16,23H,6-7,10-14H2,1-3H3,(H,20,24)
InChIKeyBEILEUHMDKSXSL-UHFFFAOYSA-N
XLogP2.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 87003932
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879884
(3R)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068501
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068500
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
1-ethylsulfonyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55715200
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
2-cyclopentyloxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 47056419

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide (CID 110896024) is 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide is CC(C)N(C)Cc1ccccc1CNC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is BEILEUHMDKSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)21(3)13-18-9-5-4-8-17(18)11-20-19(24)22-10-6-7-16(12-22)14-23/h4-5,8-9,15-16,23H,6-7,10-14H2,1-3H3,(H,20,24).
What are the key properties of 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110896024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).