N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide

C24H25N3O3 — CID 56511594

IUPACN-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(CO)CC2)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H25N3O3/c28-17-18-10-14-27(15-11-18)24(30)20-4-3-5-21(16-20)25-23(29)19-6-8-22(9-7-19)26-12-1-2-13-26/h1-9,12-13,16,18,28H,10-11,14-15,17H2,(H,25,29)
InChIKeyAEAFUAWFUDZWKN-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.57
Rot. Bonds5

About N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide

N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 56511594) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID56511594
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCC(CO)CC2)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H25N3O3/c28-17-18-10-14-27(15-11-18)24(30)20-4-3-5-21(16-20)25-23(29)19-6-8-22(9-7-19)26-12-1-2-13-26/h1-9,12-13,16,18,28H,10-11,14-15,17H2,(H,25,29)
InChIKeyAEAFUAWFUDZWKN-UHFFFAOYSA-N
XLogP3.57
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
N-[3-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108547121
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 56510698
2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide
CID 56511851
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 167876855
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide (CID 56511594) is N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide is O=C(Nc1cccc(C(=O)N2CCC(CO)CC2)c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is AEAFUAWFUDZWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-17-18-10-14-27(15-11-18)24(30)20-4-3-5-21(16-20)25-23(29)19-6-8-22(9-7-19)26-12-1-2-13-26/h1-9,12-13,16,18,28H,10-11,14-15,17H2,(H,25,29).
What are the key properties of N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide?
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 403.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 56511594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).