N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

C19H31N3O2 — CID 75436603

IUPACN-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCc2ccc(C)cc2N(C)C)CC1
InChIInChI=1S/C19H31N3O2/c1-5-19(14-23)8-10-22(11-9-19)18(24)20-13-16-7-6-15(2)12-17(16)21(3)4/h6-7,12,23H,5,8-11,13-14H2,1-4H3,(H,20,24)
InChIKeyKKRVJKJLHCRVRY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.76
Rot. Bonds5

About N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 75436603) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID75436603
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCc2ccc(C)cc2N(C)C)CC1
InChIInChI=1S/C19H31N3O2/c1-5-19(14-23)8-10-22(11-9-19)18(24)20-13-16-7-6-15(2)12-17(16)21(3)4/h6-7,12,23H,5,8-11,13-14H2,1-4H3,(H,20,24)
InChIKeyKKRVJKJLHCRVRY-UHFFFAOYSA-N
XLogP2.76
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777395
(3S)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777392
N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 128685706
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111976814
(2R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 99851395
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71922829
4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide
CID 86792095
2-ethyl-N,N,5-trimethylaniline
CID 59382459
4-methyl-N-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]-3-oxo-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 164632661
2-[(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63162157
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976809
3-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63146020

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (CID 75436603) is N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)NCc2ccc(C)cc2N(C)C)CC1.
What is the InChIKey of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KKRVJKJLHCRVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-19(14-23)8-10-22(11-9-19)18(24)20-13-16-7-6-15(2)12-17(16)21(3)4/h6-7,12,23H,5,8-11,13-14H2,1-4H3,(H,20,24).
What are the key properties of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-methylphenyl]methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75436603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).