N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C17H27N3O2 — CID 110896394

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-19(2)12-16-5-3-4-15(10-16)11-18-17(22)20-8-6-14(13-21)7-9-20/h3-5,10,14,21H,6-9,11-13H2,1-2H3,(H,18,22)
InChIKeySACJRFHLABFGAY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.66
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110896394) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110896394
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-19(2)12-16-5-3-4-15(10-16)11-18-17(22)20-8-6-14(13-21)7-9-20/h3-5,10,14,21H,6-9,11-13H2,1-2H3,(H,18,22)
InChIKeySACJRFHLABFGAY-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51083402
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443905
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110896394) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is CN(C)Cc1cccc(CNC(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is SACJRFHLABFGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)12-16-5-3-4-15(10-16)11-18-17(22)20-8-6-14(13-21)7-9-20/h3-5,10,14,21H,6-9,11-13H2,1-2H3,(H,18,22).
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110896394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).