N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C25H31N5O2 — CID 3243944

IUPACN-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1
InChIInChI=1S/C25H31N5O2/c31-24(26-17-23-11-7-15-32-23)20-8-6-12-28(18-20)19-21-16-27-30(22-9-2-1-3-10-22)25(21)29-13-4-5-14-29/h1-5,9-10,13-14,16,20,23H,6-8,11-12,15,17-19H2,(H,26,31)
InChIKeyLOROWHOBQMIPAH-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.17
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 3243944) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID3243944
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1
InChIInChI=1S/C25H31N5O2/c31-24(26-17-23-11-7-15-32-23)20-8-6-12-28(18-20)19-21-16-27-30(22-9-2-1-3-10-22)25(21)29-13-4-5-14-29/h1-5,9-10,13-14,16,20,23H,6-8,11-12,15,17-19H2,(H,26,31)
InChIKeyLOROWHOBQMIPAH-UHFFFAOYSA-N
XLogP3.17
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 3245934
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 43930797
1-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92752236
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 22511699
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 122175271
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 3243944) is N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is LOROWHOBQMIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-24(26-17-23-11-7-15-32-23)20-8-6-12-28(18-20)19-21-16-27-30(22-9-2-1-3-10-22)25(21)29-13-4-5-14-29/h1-5,9-10,13-14,16,20,23H,6-8,11-12,15,17-19H2,(H,26,31).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3243944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).