(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C20H25N5O5 — CID 129324417

IUPAC(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C20H25N5O5/c1-28-8-6-21-19(26)15-10-22-24-18(15)13-3-2-7-25(11-13)20(27)23-14-4-5-16-17(9-14)30-12-29-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,26)(H,22,24)(H,23,27)/t13-/m1/s1
InChIKeyMLDOEVOZMKOMBV-CYBMUJFWSA-N
MW415.45 g/mol
LogP1.93
Rot. Bonds6

About (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 129324417) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID129324417
Molecular FormulaC20H25N5O5
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Name(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C20H25N5O5/c1-28-8-6-21-19(26)15-10-22-24-18(15)13-3-2-7-25(11-13)20(27)23-14-4-5-16-17(9-14)30-12-29-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,26)(H,22,24)(H,23,27)/t13-/m1/s1
InChIKeyMLDOEVOZMKOMBV-CYBMUJFWSA-N
XLogP1.93
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70765081
(3R)-N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97143036
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
N-[(3S)-1-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 172890706
N-(1,3-benzodioxol-5-yl)-5-[(3S)-3-(3-methoxypropylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871595
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
CID 42567311
(3R)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-1-carboxamide
CID 129324013
(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 129324417) is (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COCCNC(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is MLDOEVOZMKOMBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N5O5/c1-28-8-6-21-19(26)15-10-22-24-18(15)13-3-2-7-25(11-13)20(27)23-14-4-5-16-17(9-14)30-12-29-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,21,26)(H,22,24)(H,23,27)/t13-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 129324417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).