1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C23H44N4O4 — CID 55739272

IUPAC1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2CCC(C(=O)NCCCOC(C)C)CC2)C1
InChIInChI=1S/C23H44N4O4/c1-18(2)15-27-11-13-31-21(16-27)14-25-22(28)17-26-9-6-20(7-10-26)23(29)24-8-5-12-30-19(3)4/h18-21H,5-17H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyMMIJLQOCHBUYCN-UHFFFAOYSA-N
MW440.63 g/mol
LogP1.10
Rot. Bonds12

About 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 55739272) has the molecular formula C23H44N4O4 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID55739272
Molecular FormulaC23H44N4O4
Molecular Weight440.63 g/mol
Exact Mass440.34
IUPAC Name1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2CCC(C(=O)NCCCOC(C)C)CC2)C1
InChIInChI=1S/C23H44N4O4/c1-18(2)15-27-11-13-31-21(16-27)14-25-22(28)17-26-9-6-20(7-10-26)23(29)24-8-5-12-30-19(3)4/h18-21H,5-17H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyMMIJLQOCHBUYCN-UHFFFAOYSA-N
XLogP1.10
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921662
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
CID 66433883
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
2-methyl-N-[1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 55849752
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide
CID 75460640
N-(5-methylhexyl)-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 169317104
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
2-[4,7-bis(carboxymethyl)-10-[2-[[4-(4-methylpentylcarbamoyl)cyclohexyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639916
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 55739272) is 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)CN1CCOC(CNC(=O)CN2CCC(C(=O)NCCCOC(C)C)CC2)C1.
What is the InChIKey of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is MMIJLQOCHBUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O4/c1-18(2)15-27-11-13-31-21(16-27)14-25-22(28)17-26-9-6-20(7-10-26)23(29)24-8-5-12-30-19(3)4/h18-21H,5-17H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 1.10, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55739272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).