1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H37N5O3 — CID 55921662

IUPAC1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC(=O)NCC3CN(CC(C)C)CCO3)CC2)nc1
InChIInChI=1S/C23H37N5O3/c1-17(2)14-28-10-11-31-20(15-28)13-25-22(29)16-27-8-6-19(7-9-27)23(30)26-21-5-4-18(3)12-24-21/h4-5,12,17,19-20H,6-11,13-16H2,1-3H3,(H,25,29)(H,24,26,30)
InChIKeyCERRTJQWADBXKY-UHFFFAOYSA-N
MW431.58 g/mol
LogP1.51
Rot. Bonds8

About 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55921662) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55921662
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC Name1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CC(=O)NCC3CN(CC(C)C)CCO3)CC2)nc1
InChIInChI=1S/C23H37N5O3/c1-17(2)14-28-10-11-31-20(15-28)13-25-22(29)16-27-8-6-19(7-9-27)23(30)26-21-5-4-18(3)12-24-21/h4-5,12,17,19-20H,6-11,13-16H2,1-3H3,(H,25,29)(H,24,26,30)
InChIKeyCERRTJQWADBXKY-UHFFFAOYSA-N
XLogP1.51
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402241
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
2-methyl-N-[1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 55849752
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55739272
2-[(3R)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidin-1-yl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 95348473
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51923991
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55921662) is 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(CC(=O)NCC3CN(CC(C)C)CCO3)CC2)nc1.
What is the InChIKey of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CERRTJQWADBXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O3/c1-17(2)14-28-10-11-31-20(15-28)13-25-22(29)16-27-8-6-19(7-9-27)23(30)26-21-5-4-18(3)12-24-21/h4-5,12,17,19-20H,6-11,13-16H2,1-3H3,(H,25,29)(H,24,26,30).
What are the key properties of 1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 1.51, 8 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-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55921662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).