N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide

C19H37N3O3S — CID 137395437

IUPACN-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(COCCN2CCOCC2)CCN(C(C)S)CC1
InChIInChI=1S/C19H37N3O3S/c1-16(2)14-20-18(23)19(4-6-22(7-5-19)17(3)26)15-25-13-10-21-8-11-24-12-9-21/h16-17,26H,4-15H2,1-3H3,(H,20,23)
InChIKeyUREWXYMBDCVJTI-UHFFFAOYSA-N
MW387.59 g/mol
LogP1.47
Rot. Bonds9

About N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide

N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide (PubChem CID 137395437) has the molecular formula C19H37N3O3S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
PubChem CID137395437
Molecular FormulaC19H37N3O3S
Molecular Weight387.59 g/mol
Exact Mass387.26
IUPAC NameN-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1(COCCN2CCOCC2)CCN(C(C)S)CC1
InChIInChI=1S/C19H37N3O3S/c1-16(2)14-20-18(23)19(4-6-22(7-5-19)17(3)26)15-25-13-10-21-8-11-24-12-9-21/h16-17,26H,4-15H2,1-3H3,(H,20,23)
InChIKeyUREWXYMBDCVJTI-UHFFFAOYSA-N
XLogP1.47
TPSA54.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide
CID 137395439
1-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]-1-propan-2-ylpiperidin-4-yl]-4-methylpentan-1-one;1-[4-[2-(dimethylamino)ethoxymethyl]-1-propan-2-ylpiperidin-4-yl]-4-methylpentan-1-one;4-methyl-1-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]pentan-1-one
CID 161494708
1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134434989
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111178514
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
1-methyl-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-amine
CID 134434577
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
2-(2-morpholin-4-ylethoxy)propanoyl fluoride
CID 139604150
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide (CID 137395437) is N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1(COCCN2CCOCC2)CCN(C(C)S)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
The InChIKey is UREWXYMBDCVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3S/c1-16(2)14-20-18(23)19(4-6-22(7-5-19)17(3)26)15-25-13-10-21-8-11-24-12-9-21/h16-17,26H,4-15H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide?
N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide has a molecular weight of 387.59 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137395437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).