1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C19H35N5O2 — CID 155871558

IUPAC1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCCC(CC)CN1CCC(Nc2ccn(C)n2)(C(=O)NCCOC)CC1
InChIInChI=1S/C19H35N5O2/c1-5-16(6-2)15-24-12-8-19(9-13-24,18(25)20-10-14-26-4)21-17-7-11-23(3)22-17/h7,11,16H,5-6,8-10,12-15H2,1-4H3,(H,20,25)(H,21,22)
InChIKeyJJUIMKNAKVDRAN-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.87
Rot. Bonds10

About 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155871558) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155871558
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCCC(CC)CN1CCC(Nc2ccn(C)n2)(C(=O)NCCOC)CC1
InChIInChI=1S/C19H35N5O2/c1-5-16(6-2)15-24-12-8-19(9-13-24,18(25)20-10-14-26-4)21-17-7-11-23(3)22-17/h7,11,16H,5-6,8-10,12-15H2,1-4H3,(H,20,25)(H,21,22)
InChIKeyJJUIMKNAKVDRAN-UHFFFAOYSA-N
XLogP1.87
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 155870922
[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155871243
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
CID 155876364
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872962
N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878996
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxamide
CID 155873523
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155872749

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155871558) is 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is CCC(CC)CN1CCC(Nc2ccn(C)n2)(C(=O)NCCOC)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is JJUIMKNAKVDRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-5-16(6-2)15-24-12-8-19(9-13-24,18(25)20-10-14-26-4)21-17-7-11-23(3)22-17/h7,11,16H,5-6,8-10,12-15H2,1-4H3,(H,20,25)(H,21,22).
What are the key properties of 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155871558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).