N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide

C22H29N5O3 — CID 96528027

IUPACN-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide
SMILESCn1cc([C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)N2CCOCC2)cn1
InChIInChI=1S/C22H29N5O3/c1-25-16-18(15-23-25)20(26-11-13-30-14-12-26)22(29)27-9-7-19(8-10-27)24-21(28)17-5-3-2-4-6-17/h2-6,15-16,19-20H,7-14H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyHJMIYADZGVDLPB-FQEVSTJZSA-N
MW411.51 g/mol
LogP1.21
Rot. Bonds5

About N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide

N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide (PubChem CID 96528027) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide
PubChem CID96528027
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide
SMILESCn1cc([C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)N2CCOCC2)cn1
InChIInChI=1S/C22H29N5O3/c1-25-16-18(15-23-25)20(26-11-13-30-14-12-26)22(29)27-9-7-19(8-10-27)24-21(28)17-5-3-2-4-6-17/h2-6,15-16,19-20H,7-14H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyHJMIYADZGVDLPB-FQEVSTJZSA-N
XLogP1.21
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248
N-[1-(2-benzhydrylsulfanylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043552
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33103822
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
CID 123463757
N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55787857
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide (CID 96528027) is N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide is Cn1cc([C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)N2CCOCC2)cn1.
What is the InChIKey of N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide?
The InChIKey is HJMIYADZGVDLPB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-25-16-18(15-23-25)20(26-11-13-30-14-12-26)22(29)27-9-7-19(8-10-27)24-21(28)17-5-3-2-4-6-17/h2-6,15-16,19-20H,7-14H2,1H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide?
N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-(1-methylpyrazol-4-yl)-2-morpholin-4-ylacetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 96528027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).