4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide

C23H31N5O2 — CID 78853904

IUPAC4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)cn2)CC1
InChIInChI=1S/C23H31N5O2/c1-26-12-14-27(15-13-26)22-7-2-18(16-24-22)17-25-23(30)28-10-8-20(9-11-28)19-3-5-21(29)6-4-19/h2-7,16,20,29H,8-15,17H2,1H3,(H,25,30)
InChIKeyISTWNKPXWVRFJU-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.63
Rot. Bonds4

About 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide

4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide (PubChem CID 78853904) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
PubChem CID78853904
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)cn2)CC1
InChIInChI=1S/C23H31N5O2/c1-26-12-14-27(15-13-26)22-7-2-18(16-24-22)17-25-23(30)28-10-8-20(9-11-28)19-3-5-21(29)6-4-19/h2-7,16,20,29H,8-15,17H2,1H3,(H,25,30)
InChIKeyISTWNKPXWVRFJU-UHFFFAOYSA-N
XLogP2.63
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methylazepane-1-carboxamide
CID 86864363
(3S)-3-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 94180412
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119901247
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120632053
1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 55794785
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide (CID 78853904) is 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide is CN1CCN(c2ccc(CNC(=O)N3CCC(c4ccc(O)cc4)CC3)cn2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
The InChIKey is ISTWNKPXWVRFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-26-12-14-27(15-13-26)22-7-2-18(16-24-22)17-25-23(30)28-10-8-20(9-11-28)19-3-5-21(29)6-4-19/h2-7,16,20,29H,8-15,17H2,1H3,(H,25,30).
What are the key properties of 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide?
4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 78853904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).