4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide

C20H29ClN4O4 — CID 52510961

IUPAC4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide
SMILESC[C@@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)N1CCOCC1
InChIInChI=1S/C20H29ClN4O4/c1-14(24-8-10-29-11-9-24)13-22-20(28)25-6-4-15(5-7-25)19(27)23-17-12-16(21)2-3-18(17)26/h2-3,12,14-15,26H,4-11,13H2,1H3,(H,22,28)(H,23,27)/t14-/m0/s1
InChIKeyWERWDCFDTXBAJZ-AWEZNQCLSA-N
MW424.93 g/mol
LogP2.13
Rot. Bonds5

About 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide

4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide (PubChem CID 52510961) has the molecular formula C20H29ClN4O4 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide
PubChem CID52510961
Molecular FormulaC20H29ClN4O4
Molecular Weight424.93 g/mol
Exact Mass424.19
IUPAC Name4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide
SMILESC[C@@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)N1CCOCC1
InChIInChI=1S/C20H29ClN4O4/c1-14(24-8-10-29-11-9-24)13-22-20(28)25-6-4-15(5-7-25)19(27)23-17-12-16(21)2-3-18(17)26/h2-3,12,14-15,26H,4-11,13H2,1H3,(H,22,28)(H,23,27)/t14-/m0/s1
InChIKeyWERWDCFDTXBAJZ-AWEZNQCLSA-N
XLogP2.13
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide (CID 52510961) is 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide is C[C@@H](CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)N1CCOCC1.
What is the InChIKey of 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide?
The InChIKey is WERWDCFDTXBAJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29ClN4O4/c1-14(24-8-10-29-11-9-24)13-22-20(28)25-6-4-15(5-7-25)19(27)23-17-12-16(21)2-3-18(17)26/h2-3,12,14-15,26H,4-11,13H2,1H3,(H,22,28)(H,23,27)/t14-/m0/s1.
What are the key properties of 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide?
4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide has a molecular weight of 424.93 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 52510961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).