1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide

C24H34N4O4 — CID 173179794

IUPAC1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
SMILESCOCC(=O)N1CCCC(NC(=O)c2ccc(C3(CN4CCCC4)CC3)cc2)C1C(N)=O
InChIInChI=1S/C24H34N4O4/c1-32-15-20(29)28-14-4-5-19(21(28)22(25)30)26-23(31)17-6-8-18(9-7-17)24(10-11-24)16-27-12-2-3-13-27/h6-9,19,21H,2-5,10-16H2,1H3,(H2,25,30)(H,26,31)
InChIKeyXSQPVIRDSXSGAP-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.04
Rot. Bonds8

About 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide

1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide (PubChem CID 173179794) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
PubChem CID173179794
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
SMILESCOCC(=O)N1CCCC(NC(=O)c2ccc(C3(CN4CCCC4)CC3)cc2)C1C(N)=O
InChIInChI=1S/C24H34N4O4/c1-32-15-20(29)28-14-4-5-19(21(28)22(25)30)26-23(31)17-6-8-18(9-7-17)24(10-11-24)16-27-12-2-3-13-27/h6-9,19,21H,2-5,10-16H2,1H3,(H2,25,30)(H,26,31)
InChIKeyXSQPVIRDSXSGAP-UHFFFAOYSA-N
XLogP1.04
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69440556
3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179790
4-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179783
N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 173174589
N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69491991
3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179695
3-chloro-N-[4-(dimethylcarbamoyl)-2-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 90711974
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 110245179
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide (CID 173179794) is 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide is COCC(=O)N1CCCC(NC(=O)c2ccc(C3(CN4CCCC4)CC3)cc2)C1C(N)=O.
What is the InChIKey of 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide?
The InChIKey is XSQPVIRDSXSGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-32-15-20(29)28-14-4-5-19(21(28)22(25)30)26-23(31)17-6-8-18(9-7-17)24(10-11-24)16-27-12-2-3-13-27/h6-9,19,21H,2-5,10-16H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide?
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide is sourced from PubChem (CID 173179794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).