2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide

C21H29N3O3 — CID 109133590

IUPAC2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H29N3O3/c25-20(22-14-17-5-4-12-27-17)18-13-19(18)21(26)23-15-6-8-16(9-7-15)24-10-2-1-3-11-24/h6-9,17-19H,1-5,10-14H2,(H,22,25)(H,23,26)
InChIKeySNPXLXFBUCYBIG-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.55
Rot. Bonds6

About 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide

2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133590) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133590
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H29N3O3/c25-20(22-14-17-5-4-12-27-17)18-13-19(18)21(26)23-15-6-8-16(9-7-15)24-10-2-1-3-11-24/h6-9,17-19H,1-5,10-14H2,(H,22,25)(H,23,26)
InChIKeySNPXLXFBUCYBIG-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 108994393
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109133590) is 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide is O=C(NCC1CCCO1)C1CC1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SNPXLXFBUCYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(22-14-17-5-4-12-27-17)18-13-19(18)21(26)23-15-6-8-16(9-7-15)24-10-2-1-3-11-24/h6-9,17-19H,1-5,10-14H2,(H,22,25)(H,23,26).
What are the key properties of 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).