ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate

C26H33N5O5 — CID 53108497

IUPACethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(NC(=O)c3ccc(OC)cc3)cnc2N2CCNCC2)CC1
InChIInChI=1S/C26H33N5O5/c1-3-36-26(34)19-8-12-31(13-9-19)25(33)22-16-20(17-28-23(22)30-14-10-27-11-15-30)29-24(32)18-4-6-21(35-2)7-5-18/h4-7,16-17,19,27H,3,8-15H2,1-2H3,(H,29,32)
InChIKeyLQPFFXBNHFMRIK-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.17
Rot. Bonds7

About ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 53108497) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate
PubChem CID53108497
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Nameethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(NC(=O)c3ccc(OC)cc3)cnc2N2CCNCC2)CC1
InChIInChI=1S/C26H33N5O5/c1-3-36-26(34)19-8-12-31(13-9-19)25(33)22-16-20(17-28-23(22)30-14-10-27-11-15-30)29-24(32)18-4-6-21(35-2)7-5-18/h4-7,16-17,19,27H,3,8-15H2,1-2H3,(H,29,32)
InChIKeyLQPFFXBNHFMRIK-UHFFFAOYSA-N
XLogP2.17
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[5-[(4-fluorobenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146062774
2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094003
5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108494
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
ethyl 1-[5-[[3-(4-methoxyphenyl)-4-methylphenyl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318099
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
N-cyclopentyl-5-[(4-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108226
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate (CID 53108497) is ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(NC(=O)c3ccc(OC)cc3)cnc2N2CCNCC2)CC1.
What is the InChIKey of ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is LQPFFXBNHFMRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-3-36-26(34)19-8-12-31(13-9-19)25(33)22-16-20(17-28-23(22)30-14-10-27-11-15-30)29-24(32)18-4-6-21(35-2)7-5-18/h4-7,16-17,19,27H,3,8-15H2,1-2H3,(H,29,32).
What are the key properties of ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 53108497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).