N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide

C21H31N3O3 — CID 33103822

IUPACN-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESC[C@@H]1CN(C(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C21H31N3O3/c1-15-13-24(14-16(2)27-15)21(26)17(3)23-11-9-19(10-12-23)22-20(25)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,25)/t15-,16+,17-/m1/s1
InChIKeyNJDBLHUUNOIDFY-IXDOHACOSA-N
MW373.50 g/mol
LogP1.91
Rot. Bonds4

About N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide

N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide (PubChem CID 33103822) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
PubChem CID33103822
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESC[C@@H]1CN(C(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C21H31N3O3/c1-15-13-24(14-16(2)27-15)21(26)17(3)23-11-9-19(10-12-23)22-20(25)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,25)/t15-,16+,17-/m1/s1
InChIKeyNJDBLHUUNOIDFY-IXDOHACOSA-N
XLogP1.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
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1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55832301
1-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738817
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CID 886437
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CID 78786496
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CID 142009687
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CID 95176270
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
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(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 9249167
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide (CID 33103822) is N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide is C[C@@H]1CN(C(=O)[C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)C[C@H](C)O1.
What is the InChIKey of N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The InChIKey is NJDBLHUUNOIDFY-IXDOHACOSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15-13-24(14-16(2)27-15)21(26)17(3)23-11-9-19(10-12-23)22-20(25)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,22,25)/t15-,16+,17-/m1/s1.
What are the key properties of N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33103822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).