N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide

C25H31N3O2 — CID 72663582

IUPACN-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NO)C1C(c2ccccc2)C1c1cccc(N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C25H31N3O2/c29-25(26-30)24-22(18-7-2-1-3-8-18)23(24)19-9-6-10-21(17-19)28-15-11-20(12-16-28)27-13-4-5-14-27/h1-3,6-10,17,20,22-24,30H,4-5,11-16H2,(H,26,29)
InChIKeyABYADMUFPHKZIY-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.75
Rot. Bonds5

About N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide

N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 72663582) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID72663582
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NO)C1C(c2ccccc2)C1c1cccc(N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C25H31N3O2/c29-25(26-30)24-22(18-7-2-1-3-8-18)23(24)19-9-6-10-21(17-19)28-15-11-20(12-16-28)27-13-4-5-14-27/h1-3,6-10,17,20,22-24,30H,4-5,11-16H2,(H,26,29)
InChIKeyABYADMUFPHKZIY-UHFFFAOYSA-N
XLogP3.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
(1S,2R,3R)-2-(2-cyclopropyl-4-pyridinyl)-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 142718712
(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
CID 23130829
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
CID 151018806
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
5-(4-piperidin-1-ylpiperidin-1-yl)-2-(propanoylamino)benzoic acid
CID 50782827
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452966
2-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 66736354
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide (CID 72663582) is N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide is O=C(NO)C1C(c2ccccc2)C1c1cccc(N2CCC(N3CCCC3)CC2)c1.
What is the InChIKey of N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ABYADMUFPHKZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-25(26-30)24-22(18-7-2-1-3-8-18)23(24)19-9-6-10-21(17-19)28-15-11-20(12-16-28)27-13-4-5-14-27/h1-3,6-10,17,20,22-24,30H,4-5,11-16H2,(H,26,29).
What are the key properties of N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide?
N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-3-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72663582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).