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

C21H41N3O3 — CID 137395439

IUPAC1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide
SMILESCCC(C)N1CCC(COCCN2CCOCC2)(C(=O)NCC(C)C)CC1
InChIInChI=1S/C21H41N3O3/c1-5-19(4)24-8-6-21(7-9-24,20(25)22-16-18(2)3)17-27-15-12-23-10-13-26-14-11-23/h18-19H,5-17H2,1-4H3,(H,22,25)
InChIKeyRJVSFOSLNMTCNF-UHFFFAOYSA-N
MW383.58 g/mol
LogP1.99
Rot. Bonds10

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

1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide (PubChem CID 137395439) has the molecular formula C21H41N3O3 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide
PubChem CID137395439
Molecular FormulaC21H41N3O3
Molecular Weight383.58 g/mol
Exact Mass383.31
IUPAC Name1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide
SMILESCCC(C)N1CCC(COCCN2CCOCC2)(C(=O)NCC(C)C)CC1
InChIInChI=1S/C21H41N3O3/c1-5-19(4)24-8-6-21(7-9-24,20(25)22-16-18(2)3)17-27-15-12-23-10-13-26-14-11-23/h18-19H,5-17H2,1-4H3,(H,22,25)
InChIKeyRJVSFOSLNMTCNF-UHFFFAOYSA-N
XLogP1.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)-1-(1-sulfanylethyl)piperidine-4-carboxamide
CID 137395437
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
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
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
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250
4-[(4-butan-2-ylpiperazin-1-yl)methyl]oxane-4-carboxylic acid
CID 62773888
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
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
3-methyl-N-[(2S)-2-morpholin-4-ylpropyl]oxetane-3-carboxamide
CID 129345062

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide?
The IUPAC name of 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide (CID 137395439) is 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide is CCC(C)N1CCC(COCCN2CCOCC2)(C(=O)NCC(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide?
The InChIKey is RJVSFOSLNMTCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O3/c1-5-19(4)24-8-6-21(7-9-24,20(25)22-16-18(2)3)17-27-15-12-23-10-13-26-14-11-23/h18-19H,5-17H2,1-4H3,(H,22,25).
What are the key properties of 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide?
1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide has a molecular weight of 383.58 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(2-methylpropyl)-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 137395439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).