N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C22H27N5O3 — CID 129324681

IUPACN-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C22H27N5O3/c1-30-10-8-23-22(29)18-12-24-26-20(18)16-6-4-9-27(13-16)14-17-11-15-5-2-3-7-19(15)25-21(17)28/h2-3,5,7,11-12,16H,4,6,8-10,13-14H2,1H3,(H,23,29)(H,24,26)(H,25,28)/t16-/m1/s1
InChIKeyQLCSWLWGJHODKV-MRXNPFEDSA-N
MW409.49 g/mol
LogP2.01
Rot. Bonds7

About N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129324681) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129324681
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C22H27N5O3/c1-30-10-8-23-22(29)18-12-24-26-20(18)16-6-4-9-27(13-16)14-17-11-15-5-2-3-7-19(15)25-21(17)28/h2-3,5,7,11-12,16H,4,6,8-10,13-14H2,1H3,(H,23,29)(H,24,26)(H,25,28)/t16-/m1/s1
InChIKeyQLCSWLWGJHODKV-MRXNPFEDSA-N
XLogP2.01
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323946
N-(2-methoxyethyl)-5-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323945
N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 128967063
(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 129324417
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95502220
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
azepan-1-yl-[5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110083019
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 129324681) is N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is COCCNC(=O)c1cn[nH]c1[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is QLCSWLWGJHODKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-30-10-8-23-22(29)18-12-24-26-20(18)16-6-4-9-27(13-16)14-17-11-15-5-2-3-7-19(15)25-21(17)28/h2-3,5,7,11-12,16H,4,6,8-10,13-14H2,1H3,(H,23,29)(H,24,26)(H,25,28)/t16-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129324681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).