ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide

C26H43N5O3 — CID 176663363

IUPACethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide
SMILESCC.[H]/N=C1\CCN(C(=O)NCCC(O)CN2CCN(c3ccccc3OC)CC2)C\C1=C\CC
InChIInChI=1S/C24H37N5O3.C2H6/c1-3-6-19-17-29(12-10-21(19)25)24(31)26-11-9-20(30)18-27-13-15-28(16-14-27)22-7-4-5-8-23(22)32-2;1-2/h4-8,20,25,30H,3,9-18H2,1-2H3,(H,26,31);1-2H3/b19-6-,25-21+;
InChIKeyQXSGWLZZLMIYPB-SACWNOHQSA-N
MW473.66 g/mol
LogP3.37
Rot. Bonds8

About ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide

ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide (PubChem CID 176663363) has the molecular formula C26H43N5O3 and a molecular weight of 473.66 g/mol. Its IUPAC name is ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide.

Molecular Properties

Compound Nameethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide
PubChem CID176663363
Molecular FormulaC26H43N5O3
Molecular Weight473.66 g/mol
Exact Mass473.34
IUPAC Nameethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide
SMILESCC.[H]/N=C1\CCN(C(=O)NCCC(O)CN2CCN(c3ccccc3OC)CC2)C\C1=C\CC
InChIInChI=1S/C24H37N5O3.C2H6/c1-3-6-19-17-29(12-10-21(19)25)24(31)26-11-9-20(30)18-27-13-15-28(16-14-27)22-7-4-5-8-23(22)32-2;1-2/h4-8,20,25,30H,3,9-18H2,1-2H3,(H,26,31);1-2H3/b19-6-,25-21+;
InChIKeyQXSGWLZZLMIYPB-SACWNOHQSA-N
XLogP3.37
TPSA92.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-but-1-enyl]-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole-1-carboxamide
CID 176663303
4-(3-ethyl-3-fluoroazetidin-1-yl)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclohexane-1-carboxamide
CID 176663394
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-3-(3-methyl-2-oxobutyl)benzamide
CID 176663308
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
CID 122183782
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-iodo-1H-indole-2-carboxamide
CID 42626380
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-7-carboxamide
CID 122183783
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide?
The IUPAC name of ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide (CID 176663363) is ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide.
What is the SMILES notation for ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide?
The canonical SMILES for ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide is CC.[H]/N=C1\CCN(C(=O)NCCC(O)CN2CCN(c3ccccc3OC)CC2)C\C1=C\CC.
What is the InChIKey of ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide?
The InChIKey is QXSGWLZZLMIYPB-SACWNOHQSA-N. The full InChI is InChI=1S/C24H37N5O3.C2H6/c1-3-6-19-17-29(12-10-21(19)25)24(31)26-11-9-20(30)18-27-13-15-28(16-14-27)22-7-4-5-8-23(22)32-2;1-2/h4-8,20,25,30H,3,9-18H2,1-2H3,(H,26,31);1-2H3/b19-6-,25-21+;.
What are the key properties of ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide?
ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide has a molecular weight of 473.66 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-imino-3-propylidenepiperidine-1-carboxamide is sourced from PubChem (CID 176663363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).