N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide

C24H27N3O2 — CID 75393508

IUPACN-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1CO)c1cccc(-n2cccc2)c1
InChIInChI=1S/C24H27N3O2/c28-18-21-17-26(16-19-7-2-1-3-8-19)14-11-23(21)25-24(29)20-9-6-10-22(15-20)27-12-4-5-13-27/h1-10,12-13,15,21,23,28H,11,14,16-18H2,(H,25,29)
InChIKeyUBCZEVIMGOVPOH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.09
Rot. Bonds6

About N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide

N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide (PubChem CID 75393508) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide
PubChem CID75393508
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1CO)c1cccc(-n2cccc2)c1
InChIInChI=1S/C24H27N3O2/c28-18-21-17-26(16-19-7-2-1-3-8-19)14-11-23(21)25-24(29)20-9-6-10-22(15-20)27-12-4-5-13-27/h1-10,12-13,15,21,23,28H,11,14,16-18H2,(H,25,29)
InChIKeyUBCZEVIMGOVPOH-UHFFFAOYSA-N
XLogP3.09
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
3-[[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]benzoic acid
CID 136583635
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 110202444
3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
CID 146128757
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 110202536
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124740057

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide (CID 75393508) is N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide is O=C(NC1CCN(Cc2ccccc2)CC1CO)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide?
The InChIKey is UBCZEVIMGOVPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-18-21-17-26(16-19-7-2-1-3-8-19)14-11-23(21)25-24(29)20-9-6-10-22(15-20)27-12-4-5-13-27/h1-10,12-13,15,21,23,28H,11,14,16-18H2,(H,25,29).
What are the key properties of N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide?
N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 75393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).