N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide

C27H33N5O4 — CID 174974658

IUPACN-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide
SMILESCCOCCOc1ccc(Nc2cncc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4)C3)n2)cc1
InChIInChI=1S/C27H33N5O4/c1-3-35-15-16-36-24-12-8-21(9-13-24)29-25-17-28-18-26(31-25)32-14-4-5-22(19-32)30-27(33)20-6-10-23(34-2)11-7-20/h6-13,17-18,22H,3-5,14-16,19H2,1-2H3,(H,29,31)(H,30,33)/t22-/m1/s1
InChIKeyVZWCSTFNJWVNKO-JOCHJYFZSA-N
MW491.59 g/mol
LogP4.04
Rot. Bonds11

About N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide

N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide (PubChem CID 174974658) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide
PubChem CID174974658
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide
SMILESCCOCCOc1ccc(Nc2cncc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4)C3)n2)cc1
InChIInChI=1S/C27H33N5O4/c1-3-35-15-16-36-24-12-8-21(9-13-24)29-25-17-28-18-26(31-25)32-14-4-5-22(19-32)30-27(33)20-6-10-23(34-2)11-7-20/h6-13,17-18,22H,3-5,14-16,19H2,1-2H3,(H,29,31)(H,30,33)/t22-/m1/s1
InChIKeyVZWCSTFNJWVNKO-JOCHJYFZSA-N
XLogP4.04
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide
CID 118143112
2-[4-[[3-carbamoyl-6-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazin-2-yl]amino]phenoxy]-N,N-dimethylethanamine oxide
CID 118115194
3-[4-(dimethylcarbamoyl)anilino]-5-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118115397
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
CID 156541623
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
5-(4-cyanoanilino)-3-[(3R)-3-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118114478
4-tert-butyl-N-[1-[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]pyrrolidin-3-yl]benzamide
CID 135370188
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
3-[4-(2-methoxyethoxy)anilino]-5-[(3R)-3-(2-phenylethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118143000
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
3-[4-(2-methoxyethoxy)anilino]-5-[3-(1-phenylethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 123257057

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide (CID 174974658) is N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide is CCOCCOc1ccc(Nc2cncc(N3CCC[C@@H](NC(=O)c4ccc(OC)cc4)C3)n2)cc1.
What is the InChIKey of N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide?
The InChIKey is VZWCSTFNJWVNKO-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-3-35-15-16-36-24-12-8-21(9-13-24)29-25-17-28-18-26(31-25)32-14-4-5-22(19-32)30-27(33)20-6-10-23(34-2)11-7-20/h6-13,17-18,22H,3-5,14-16,19H2,1-2H3,(H,29,31)(H,30,33)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide?
N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide has a molecular weight of 491.59 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 174974658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).